Index

Darzens-Condensation-Ketone-X-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

Reactants

Products

Imine-Formation-Carbonyl

References: 0

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-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

Darzens-Condensation-Ester-X-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 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Reactants

Products

Sulfonamide-Condensation

References: 0

Condition to enforce:

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

Reactants

Products

Schmidt-Reaction-Alkene

References: 0

Condition to enforce:

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

Reactants

Products

Knoevenagel-Condensation-EWG1-Sulfonyl-and-EWG2-Sulfonyl-EWG3-Nitrile

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Schmidt-Reaction-Ketone

References: 0

Condition to enforce:

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

Reactants

Products

Schmidt-Reaction-Alcohol

References: 0

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

Reactants

Products

Knoevenagel-Condensation-EWG1-Nitrile-and-EWG2-Phosphonate-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Aldol-Condensation

References: 0,1

Special Conditions : REACT WITH ITSELF

Condition to enforce:

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

Condition to avoid:

R3 = 3-membered-ring-L
R4 = 3-membered-ring-L

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

Knoevenagel-Condensation-EWG1-Carboxyl-and-EWG2-Sulfonyl-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Stobbe-Condensation

References: 0

Condition to enforce:

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

Reactants

Products

Aldol-Condensation-Amide

References: 0,1

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R3 = L-A
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, 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-Formation-Sulfonyl

References: 0

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-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

Knoevenagel-Condensation-EWG1-Carbonyl-and-EWG2-Phosphonate-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Chihibabin-Reaction

References: 0

Condition to enforce:

R1 = L-A, A-Aromatic-Carbon
R2 = L-A, A-Aromatic-Carbon
R3 = L-A, A-Aromatic-Carbon
R4 = L-A, A-Aromatic-Carbon

Reactants

Products

Knoevenagel-Condensation-EWG1-Nitrite-and-EWG2-Nitrite-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Knoevenagel-Condensation-EWG1-Carbonyl-and-EWG2-Carboxyl-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Conjugated-Thiophilic-Aldol-Reaction

References: 0

Condition to enforce:

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

Reactants

Products

Knoevenagel-Condensation-EWG1-Carboxyl-and-EWG2-Phosphonate-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Darzens-Condensation-Ketone-X-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

Reactants

Products

Knoevenagel-Condensation-EWG1-Carboxyl-and-EWG2-Nitrite-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Halolactonization-Cl

References: 0

Condition to enforce:

R1 = L-A
R2 = L-A
R3 = L-A
R4 = L-A

Reactants

Products

Darzens-Condensation-Ester-X-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 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Reactants

Products

Knoevenagel-Condensation-EWG1-Nitrile-and-EWG2-Nitrile-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Mukaiyama-Aldol-Addition-X-Alkane

References: 0

Condition to enforce:

R1 = L-A, A-Aromatic-Carbon
R2 = L-A, A-Aromatic-Carbon
R3 = L-A, A-Aromatic-Carbon
R4 = L-A, A-Aromatic-Carbon
R5 = L-A, A-Aromatic-Carbon
R6 = L-A, A-Aromatic-Carbon
R7 = L-A, A-Aromatic-Carbon
R8 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Reactants

Products

Knoevenagel-Condensation-EWG1-Carbonyl-and-EWG2-Nitrite-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Knoevenagel-Condensation-EWG1-Nitrile-and-EWG2-Sulfonyl-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Pictet-Spengler

References: 0

Condition to enforce:

R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Carbon
R7 = H, A-Aliphatic-Carbon
R8 = H, A-Aliphatic-Carbon
R9 = H, A-Aliphatic-Carbon
R10 = H, A-Aliphatic-Carbon

Reactants

Products

Darzens-Condensation-Ketone-X-Sulfonate

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

Reactants

Products

Knoevenagel-Condensation-EWG1-Carboxyl-and-EWG2-Carboxyl-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Knoevenagel-Condensation-EWG1-Phosphonate-and-EWG2-Sulfonyl-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Chihibabin-Reaction-Pyrazine

References: 0,1

Condition to enforce:

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

Reactants

Products

Schmidt-Reaction-Carboxylic-Acid

References: 0,1

Condition to enforce:

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

Reactants

Products

Darzens-Condensation-Ester-X-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 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Reactants

Products

Thiophilic-Aldol-Reaction

References: 0

Condition to enforce:

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

Reactants

Products

Darzens-Condensation-Ketone-X-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

Reactants

Products

Knoevenagel-Condensation-EWG1-Nitrite-and-EWG2-Sulfonyl-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Halolactonization-Br

References: 0

Condition to enforce:

R1 = L-A
R2 = L-A
R3 = L-A
R4 = L-A

Reactants

Products

Knoevenagel-Condensation-EWG1-Carbonyl-and-EWG2-Carbonyl-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Darzens-Condensation-Ester-X-Sulfonate

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 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Reactants

Products

Knoevenagel-Condensation-EWG1-Carboxyl-and-EWG2-Nitrile-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Knoevenagel-Condensation-EWG1-Nitrite-and-EWG2-Phosphonate-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Knoevenagel-Condensation-EWG1-Carbonyl-and-EWG2-Nitrile-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Knoevenagel-Condensation-EWG1-Nitrile-and-EWG2-Nitrite-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Knoevenagel-Condensation-EWG1-Phosphonate-and-EWG2-Phosphonate-EWG3-Nitrile

References: 0,1

Condition to enforce:

R1 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R2 = A-Aliphatic-Carbon, A-Aromatic-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 = 4-membered-ring

Reactants

Products

Knoevenagel-Condensation-EWG1-Carbonyl-and-EWG2-Sulfonyl-EWG3-Nitrile

References: 0,1

Condition to enforce:

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Mukaiyama-Aldol-Addition-X-Alkoxide

References: 0

Condition to enforce:

R1 = L-A, A-Aromatic-Carbon
R2 = L-A, A-Aromatic-Carbon
R3 = L-A, A-Aromatic-Carbon
R4 = L-A, A-Aromatic-Carbon
R5 = L-A, A-Aromatic-Carbon
R6 = L-A, A-Aromatic-Carbon
R7 = L-A, A-Aromatic-Carbon
R8 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Reactants

Products