Index

Nucleophilic-Acyl-Substitution-Carbonate-Nu-Carboxyl-H

References: 0

Condition to enforce:

R1 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = A-Aliphatic-Carbon, Vinyl-Group, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrite-and-EWG2-Nitrite-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Haloformate-Lg-Chlorine-and-Nu-Thiolate

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Halide-Lg-Iodine-and-Nu-Alkoxide

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Sulfonyl-and-EWG2-Sulfonyl-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Phosphonate-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Haloformate-Lg-Chlorine-and-Nu-Hydroxyl

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Nitrile-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Halide-Lg-Bromine-and-Nu-Alkoxide

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Phosphonate-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Phosphonate-and-EWG2-Sulfonyl-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Nitrile-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Nitrile-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Haloform-X1-Chlorine-and-X2-Chlorine-and-X3-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, Chlorine, Bromine, Iodine, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Reactants

Products

Transesterification

References: 0

Condition to enforce:

R1 = L-A
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Nitrite-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Carbonate-Ester-and-Nu-Phosphine

References: 0,1,2,3,4

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Formylation-Alpha-Iodo

References: 0

Condition to enforce:

R1 = A-Aliphatic-Carbon, A-Aromatic-Carbon, L-A
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon, L-A
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon, L-A

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Chlorine-and-Nu-Phosphine

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Nu-Hydroxyl

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrite-and-EWG2-Phosphonate-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrite-and-EWG2-Nitrite-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Iodine-and-Nu-Amino

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Phosphonate-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrite-and-EWG2-Phosphonate-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamate-Ester-OR-Leaving-Nu-Alkoxide

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Sulfonyl-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Carboxyl-H-and-Nu-Hydroxyl

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Halide-Lg-Bromine-and-Nu-Alkoxide

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Chlorine-and-Nu-Carboxyl-H

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Halide-Lg-Chlorine-and-Nu-Hydroxyl

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Nitrite-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Carboxyl-H-and-Nu-Amino

References: 0,1,2,3,4,5,6,7

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Phosphonate-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Azide-and-Nu-Carboxyl-H

References: 0,1,2,3,4

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Alkoxide-and-Nu-Hydroxyl

References: 0,1,2,3,4,5,6,7

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrite-and-EWG2-Nitrite-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbonate-Nu-Thiolate

References: 0

Condition to enforce:

R1 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Iodine-and-Nu-Phosphine

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Special-Amine-Alkoxide.ipynb

References: 0

Condition to enforce:

R1 = L-A
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Sulfonyl-and-EWG2-Sulfonyl-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Carboxyl-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Sulfonyl-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Carboxyl-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Phosgene-Nu-Alkoxide

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Nitrile-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrite-and-EWG2-Nitrite-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Haloformate-Lg-Bromine-and-Nu-Phosphine

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrite-and-EWG2-Sulfonyl-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrite-and-EWG2-Sulfonyl-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Sulfonyl-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Carboxyl-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Carboxyl-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Formylation-Alpha-Bromo

References: 0

Condition to enforce:

R1 = A-Aliphatic-Carbon, A-Aromatic-Carbon, L-A
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon, L-A
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon, L-A

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Sulfonyl-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Nitrite-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Carbonyl-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Nitrite-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Nitrite-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbonate-Nu-Hydroxyl

References: 0

Condition to enforce:

R1 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Halide-Lg-Chlorine-and-Nu-Thiolate

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Phosphonate-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrite-and-EWG2-Nitrite-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Halide-Lg-Chlorine-and-Nu-Amino

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group-No-Oxygen, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group-No-Oxygen, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrite-and-EWG2-Phosphonate-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Bromine-and-Nu-Amino

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Haloformate-Lg-Bromine-and-Nu-Hydroxyl

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrite-and-EWG2-Phosphonate-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Carbonyl-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Phosphonate-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Haloformate-Lg-Bromine-and-Nu-Thiolate

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Nitrile-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Phosphonate-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Chlorine-and-Nu-Thiolate

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Thiolate-and-Nu-Amino

References: 0,1,2,3,4,5,6

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Bromine-and-Nu-Hydroxyl

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Halide-Lg-Iodine-and-Nu-Hydroxyl

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Carbonyl-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Carbonyl-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrite-and-EWG2-Sulfonyl-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Carboxyl-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Carboxyl-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Haloformate-Lg-Bromine-and-Nu-Carboxyl-H

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Halide-Lg-Chlorine-and-Nu-Thiolate

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Azide-and-Nu-Phosphine

References: 0,1,2,3,4

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Azide-and-Nu-Alkoxide

References: 0,1,2,3,4

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Phosphonate-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Phosphonate-and-EWG2-Phosphonate-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R7 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Alkoxide-and-Nu-Amino

References: 0,1,2,3,4,5,6

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Phosphonate-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Nitrite-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Halide-Lg-Chlorine-and-Nu-Hydroxyl

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Carboxyl-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Nitrite-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Phosgene-Nu-Carboxyl-H

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Carbonyl-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Nitrile-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Haloformate-Lg-Iodine-and-Nu-Phosphine

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring

Reactants

Products

Haloform-X1-Iodine-and-X2-Iodine-and-X3-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, Chlorine, Bromine, Iodine, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Amino-and-Nu-Hydroxyl

References: 0,1,2,3,4,5,6,7

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Nitrite-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Halide-Lg-Chlorine-and-Nu-Phosphine

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Chlorine-and-Nu-Hydroxyl

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Carbonate-Ester-and-Nu-Alkoxide

References: 0,1,2,3,4

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Carboxyl-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Carboxyl-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Nitrile-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enamine-Lg-Chlorine

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Bromine-and-Nu-Thiolate

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Phosphonate-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Phosphonate-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Sulfonyl-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Phosphonate-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Iodine-and-Nu-Alkoxide

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Thiolate-and-Nu-Alkoxide

References: 0,1,2,3,4

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Bromine-and-Nu-Phosphine

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Halide-Lg-Bromine-and-Nu-Amino

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group-No-Oxygen, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group-No-Oxygen, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Imine-Hydrolysis

References: 0,1

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group-No-Oxygen, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclopentene-Aromatic, A-Cyclobutadiene

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Nitrile-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Nitrite-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Carbonyl-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Nitrite-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Sulfonyl-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Haloformate-Lg-Iodine-and-Nu-Thiolate

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Haloformate-Lg-Chlorine-and-Nu-Carboxyl-H

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Carboxyl-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Phosphonate-and-EWG2-Sulfonyl-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R6 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Carbonyl-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Carbonyl-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Phosphonate-and-EWG2-Sulfonyl-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enamine-Lg-Bromine

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Nitrite-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Phosphonate-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Carboxyl-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Halide-Lg-Iodine-and-Nu-Amino

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group-No-Oxygen, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group-No-Oxygen, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Sulfonyl-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamate-Ester-OR-Leaving-Nu-Carboxyl-H

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Halide-Lg-Bromine-and-Nu-Thiolate

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Carboxyl-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Carbonyl-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Carboxyl-H-and-Nu-Thiolate

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Sulfonyl-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Alkoxide-and-Nu-Phosphine

References: 0,1,2,3,4

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Chlorine-and-Nu-Amino

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Carbonate-Ester-and-Nu-Amino

References: 0,1,2,3,4,5,6

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Halide-Lg-Bromine-and-Nu-Thiolate

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Carboxyl-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Haloformate-Lg-Iodine-and-Nu-Hydroxyl

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Nitrile-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

β-Lactam-Ring-Opening

References: 0,1

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Halide-Lg-Iodine-and-Nu-Thiolate

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Sulfonyl-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Halide-Lg-Bromine-and-Nu-Phosphine

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Nitrite-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Phosgene-Nu-Amino

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Carboxylic-Acid-to-Acid-Halide-Xg1-Bromine-and-Xg2-Bromine

References: 0,1

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Reactants

Products

Gabriel-Synthesis

References: 0,1

Condition to enforce:

R1 = H, A-Aliphatic-Carbon

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Carboxyl-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Nitrite-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Haloformate-Lg-Chlorine-and-Nu-Alkoxide

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Sulfonyl-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Phosphonate-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Thiolate-and-Nu-Phosphine

References: 0,1,2,3,4

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Nitrile-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Halide-Lg-Bromine-and-Nu-Hydroxyl

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Nitrite-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Phosphonate-and-EWG2-Phosphonate-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Sulfonyl-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Haloformate-Lg-Chlorine-and-Nu-Amino

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group-No-Oxygen, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group-No-Oxygen, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamate-Ester-OR-Leaving-Nu-Thiolate

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Phosphonate-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Sulfonyl-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Sulfonyl-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Haloform-X1-Bromine-and-X2-Bromine-and-X3-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, Chlorine, Bromine, Iodine, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Nu-Alkoxide

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Nitrite-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Nu-Amino

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Sulfonyl-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbonate-Nu-Phosphine

References: 0

Condition to enforce:

R1 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Sulfonyl-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Carboxyl-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrite-and-EWG2-Phosphonate-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrite-and-EWG2-Sulfonyl-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Bromine-and-Nu-Azide

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Nitrile-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Nitrile-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Sulfonyl-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Sulfonyl-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Sulfonyl-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Phosphonate-and-EWG2-Phosphonate-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R7 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbonate-Nu-Amino

References: 0

Condition to enforce:

R1 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group-No-Oxygen, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group-No-Oxygen, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrite-and-EWG2-Nitrite-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Phosgene-Nu-Thiolate

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Phosphonate-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Nitrite-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Nitrite-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Phosphonate-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Phosphonate-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Phosphonate-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Nitrile-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Azide-and-Nu-Amino

References: 0,1,2,3,4,5,6

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Nitrile-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Halide-Lg-Bromine-and-Nu-Amino

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Phosphonate-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamate-Ester-OR-Leaving-Nu-Hydroxyl

References: 0,1,2,3,4,5

Condition to enforce:

R1 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Halide-Lg-Iodine-and-Nu-Hydroxyl

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Nitrite-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Haloformate-Lg-Bromine-and-Nu-Alkoxide

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Halide-Lg-Iodine-and-Nu-Thiolate

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Phosphonate-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Nitrite-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamate-Ester-OR-Leaving-Nu-Amino

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group-No-Oxygen, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group-No-Oxygen, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Phosphonate-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Nitrile-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Halide-Lg-Chlorine-and-Nu-Alkoxide

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Iodine-and-Nu-Thiolate

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Nitrile-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Hydroxyl-and-Nu-Amino

References: 0,1,2,3,4,5,6

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Halide-Lg-Iodine-and-Nu-Carboxyl-H

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Nitrile-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamate-Ester-OR-Leaving-Nu-Phosphine

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Reactants

Products

Amine-Deprotection

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Alkoxide-and-Nu-Alkoxide

References: 0,1,2,3,4

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Thiolate-and-Nu-Hydroxyl

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Haloformate-Lg-Chlorine-and-Nu-Phosphine

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Haloformate-Lg-Bromine-and-Nu-Amino

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group-No-Oxygen, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group-No-Oxygen, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Haloformate-Lg-Iodine-and-Nu-Carboxyl-H

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Chlorine-and-Nu-Azide

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Halide-Lg-Bromine-and-Nu-Hydroxyl

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Nitrite-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Bromine-and-Nu-Carboxyl-H

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Iodine-and-Nu-Carboxyl-H

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Carboxyl-H-and-Nu-Phosphine

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Sulfonyl-and-EWG2-Sulfonyl-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrite-and-EWG2-Phosphonate-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Haloformate-Lg-Iodine-and-Nu-Amino

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group-No-Oxygen, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group-No-Oxygen, A-Alkoxide, Hydroxyl, A-Aliphatic-Nitrogen

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Nitrile-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Phosphonate-and-EWG2-Phosphonate-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Azide-and-Nu-Hydroxyl

References: 0,1,2,3,4

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Nitrite-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Sulfonyl-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Phosphonate-and-EWG2-Sulfonyl-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Halide-Lg-Iodine-and-Nu-Alkoxide

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Nitrite-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Nitrile-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Halide-Lg-Bromine-and-Nu-Carboxyl-H

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Halide-Lg-Iodine-and-Nu-Carboxyl-H

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Phosphonate-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Nitrile-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Halide-Lg-Iodine-and-Nu-Amino

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Nitrite-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Nitrile-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Sulfonyl-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Nitrile-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Carbonate-Ester-and-Nu-Thiolate

References: 0,1,2,3,4

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enamine-Lg-Iodine

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Halide-Lg-Chlorine-and-Nu-Alkoxide

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Halide-Lg-Iodine-and-Nu-Phosphine

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Halide-Lg-Chlorine-and-Nu-Amino

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Sulfonyl-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrite-and-EWG2-Sulfonyl-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Carbonyl-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Nitrile-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Azide-and-Nu-Thiolate

References: 0,1,2,3,4

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Hydroxyl-and-Nu-Alkoxide

References: 0,1,2,3,4,5,6,7

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Carboxyl-H-and-Nu-Alkoxide

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Carbonate-Ester-and-Nu-Carboxyl-H

References: 0,1,2,3,4

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Sulfonyl-and-EWG2-Sulfonyl-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Carboxylic-Acid-to-Acid-Halide-Xg1-Chlorine-and-Xg2-Chlorine

References: 0,1

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Reactants

Products

Nucleophilic-Acyl-Substitution-Lg-Carbonate-Ester-and-Nu-Hydroxyl

References: 0,1,2,3,4

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Carboxyl-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Phosphonate-and-EWG2-Sulfonyl-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Dithioate-Halide-Lg-Chlorine-and-Nu-Carboxyl-H

References: 0

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Carboxyl-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Bromine-and-Nu-Alkoxide

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Nitrite-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Halide-Lg-Bromine-and-Nu-Carboxyl-H

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Carbonyl-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Iodine-and-Nu-Hydroxyl

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Carbonyl-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carboxyl-and-EWG2-Sulfonyl-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Formylation-Alpha-Chloral

References: 0

Condition to enforce:

R1 = A-Aliphatic-Carbon, A-Aromatic-Carbon, L-A
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon, L-A
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon, L-A

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Phosphonate-and-EWG2-Sulfonyl-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Chlorine-and-Nu-Alkoxide

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Phosphonate-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Sulfonyl-Lg-Iodine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Phosphonate-and-EWG2-Phosphonate-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Sulfonyl-and-EWG2-Sulfonyl-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrile-and-EWG2-Sulfonyl-Lg-Carboxyl-H

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Sulfonyl-and-EWG2-Sulfonyl-Lg-Chlorine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Nitrite-and-EWG2-Sulfonyl-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Acid-Halide-Lg-Iodine-and-Nu-Azide

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Alkane-and-EWG2-Carboxyl-Lg-Carbonate-Ester

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Phosphonate-and-EWG2-Phosphonate-Lg-Alkoxide

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R7 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Halide-Lg-Chlorine-and-Nu-Carboxyl-H

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene, A-Cyclobutene-Aromatic, A-Cyclobutadiene, A-Cyclo-Double-Aromatic-pentene, A-Cyclopentene-Aromatic, bridged_meta_tether_2, A-Cyclo-Double-Aromatic-Pentene3, bridged_para_tether_2, bridged_para_tether_3, bridged_para_tether_4, bridged_para_tether_5, bridged_meta_tether_1, bridged_meta_tether_2, bridged_meta_tether_3, bridged_meta_tether_4, bridged_meta_tether_5

Reactants

Products

Nucleophilic-Substitution-Enolates-Basic-EWG1-Carbonyl-and-EWG2-Nitrile-Lg-Bromine

References: 0,1,2,3

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group
R2 = H, A-Aliphatic-Carbon
R3 = H, A-Aliphatic-Nitrogen, A-Aliphatic-Carbon, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring, A-Cyclobutene-Aromatic

Reactants

Products

Nucleophilic-Acyl-Substitution-Carbamoyl-Haloformate-Lg-Iodine-and-Nu-Alkoxide

References: 0,1,2,3,4,5

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 3-membered-ring, 4-membered-ring

Reactants

Products