Index

Baylis-Hillman-Reaction-O-Electrophile-EWG-Carboxyl

References: 0

Condition to enforce:

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

Reactants

Products

Michael-Addition-EWG1-Nitrile-and-EWG2-Sulfonyl-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Alkane-and-EWG2-Carbonyl-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
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, A-Aliphatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Alkane-and-EWG2-Carboxyl-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Carbon
R7 = H, A-Aliphatic-Carbon, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Baylis-Hillman-Reaction-O-Electrophile-EWG-Nitrite

References: 0

Condition to enforce:

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

Reactants

Products

Michael-Addition-EWG1-Carbonyl-and-EWG2-Phosphonate-EWG3-Carbonyl

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
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, A-Aliphatic-Carbon, Vinyl-Group
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R7 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Carbonyl-and-EWG2-Nitrile-EWG3-Ester

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Carbonyl-and-EWG2-Phosphonate-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, A-Aliphatic-Carbon, Vinyl-Group
R7 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R8 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-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-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, A-Aliphatic-Carbon, Vinyl-Group
R6 = H, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, A-Aliphatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Baylis-Hillman-Reaction-O-Electrophile-EWG-Carbonyl

References: 0

Condition to enforce:

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

Reactants

Products

Michael-Addition-EWG1-Carboxyl-and-EWG2-Phosphonate-EWG3-Carbonyl

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
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, Vinyl-Group
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R7 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-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-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, A-Aliphatic-Carbon, Vinyl-Group
R6 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Alkoxide-Michael-Addition-EWG-Nitrile

References: 0,1,2

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
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

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

Michael-Addition-EWG1-Nitrile-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-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Phosphonate-and-EWG2-Phosphonate-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R7 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R8 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R9 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Alkane-and-EWG2-Nitrite-EWG3-Carbonyl

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
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Alkane-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
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Sulfonyl-and-EWG2-Sulfonyl-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R7 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Nitrile-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-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-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-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, Vinyl-Group
R6 = H, A-Aliphatic-Carbon, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Carbonyl-and-EWG2-Carbonyl-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, A-Aliphatic-Carbon, Vinyl-Group
R7 = H, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, A-Aliphatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Alkane-and-EWG2-Carboxyl-EWG3-Carbonyl

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Carboxyl-and-EWG2-Nitrile-EWG3-Carbonyl

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Baylis-Hillman-Reaction-O-Electrophile-EWG-Nitrile

References: 0

Condition to enforce:

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

Reactants

Products

Michael-Addition-EWG1-Carbonyl-and-EWG2-Nitrite-EWG3-Carbonyl

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Nitrile-and-EWG2-Nitrile-EWG3-Carbonyl

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
R4 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Carboxyl-and-EWG2-Carboxyl-EWG3-Carbonyl

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Nitrite-and-EWG2-Sulfonyl-EWG3-Carbonyl

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
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Carbonyl-and-EWG2-Carbonyl-EWG3-Carbonyl

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Carboxyl-and-EWG2-Sulfonyl-EWG3-Carbonyl

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Alkane-and-EWG2-Nitrite-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Alkane-and-EWG2-Sulfonyl-EWG3-Carbonyl

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
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Carboxyl-and-EWG2-Nitrite-EWG3-Ester

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Azo-Michael-Addition-EWG-Nitrile

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
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

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

Reactants

Products

Nitrile-Michael-Addition-EWG-Carbonyl

References: 0,1,2

Condition to enforce:

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

Avoid formation of:

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

Reactants

Products

Michael-Addition-EWG1-Carboxyl-and-EWG2-Sulfonyl-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Carbon, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, Vinyl-Group
R7 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-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-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Alkoxide-Michael-Addition-EWG-Carboxyl

References: 0,1,2

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

Avoid formation of:

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

Michael-Addition-EWG1-Nitrile-and-EWG2-Nitrite-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Nitrile-and-EWG2-Sulfonyl-EWG3-Carbonyl

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
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Nitrile-Michael-Addition-EWG-Carboxyl

References: 0,1,2

Condition to enforce:

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

Avoid formation of:

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

Reactants

Products

Michael-Addition-EWG1-Carbonyl-and-EWG2-Sulfonyl-EWG3-Carbonyl

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Baylis-Hillman-Reaction-O-Electrophile-EWG-Amide

References: 0

Condition to enforce:

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

Reactants

Products

Alkoxide-Michael-Addition-EWG-Nitrite

References: 0,1,2

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
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

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

Michael-Addition-EWG1-Alkane-and-EWG2-Phosphonate-EWG3-Carbonyl

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
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R7 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Carbonyl-and-EWG2-Sulfonyl-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, A-Aliphatic-Carbon, Vinyl-Group
R7 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Baylis-Hillman-Reaction-O-Electrophile-EWG-Phosphonate

References: 0

Condition to enforce:

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

Reactants

Products

Michael-Addition-EWG1-Carboxyl-and-EWG2-Nitrile-EWG3-Ester

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Stork-Imine-Alkylation

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 = L-A, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Nitrile-and-EWG2-Nitrite-EWG3-Carbonyl

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
R4 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Phosphonate-and-EWG2-Phosphonate-EWG3-Carbonyl

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
R4 = H, A-Aliphatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R7 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R8 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Stork-Enamine-Alkylation

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 = L-A, A-Aromatic-Carbon

Reactants

Products

Michael-Addition-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-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, A-Aliphatic-Carbon, Vinyl-Group
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R7 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-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-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, Vinyl-Group
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R7 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Nitrile-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-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Phosphonate-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-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R7 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R8 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Carboxyl-and-EWG2-Nitrite-EWG3-Carbonyl

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Azo-Michael-Addition-EWG-Nitrite

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
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

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

Reactants

Products

Michael-Addition-EWG1-Alkane-and-EWG2-Phosphonate-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Carbon
R7 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R8 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Carboxyl-and-EWG2-Phosphonate-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Carbon, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, Vinyl-Group
R7 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R8 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Alkane-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-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Alkane-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-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Carbon, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Alkane-and-EWG2-Nitrile-EWG3-Carbonyl

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
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Alkoxide-Michael-Addition-EWG-Carbonyl

References: 0,1,2

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
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, 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

Michael-Addition-EWG1-Carbonyl-and-EWG2-Carboxyl-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, A-Aliphatic-Carbon, Vinyl-Group
R7 = H, A-Aliphatic-Carbon, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Sulfonyl-and-EWG2-Sulfonyl-EWG3-Carbonyl

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
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Nitrile-and-EWG2-Nitrile-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Thiol-Michael-Addition-EWG-Nitrile

References: 0,1

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
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

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

Reactants

Products

Michael-Addition-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
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Azo-Michael-Addition-EWG-Phosphonate

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
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R7 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

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

Reactants

Products

Michael-Addition-EWG1-Nitrile-and-EWG2-Phosphonate-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R7 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-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-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, Vinyl-Group
R6 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Carbonyl-and-EWG2-Nitrile-EWG3-Carbonyl

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Alkane-and-EWG2-Carbonyl-EWG3-Carbonyl

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Carboxyl-and-EWG2-Carboxyl-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Carbon, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, Vinyl-Group
R7 = H, A-Aliphatic-Carbon, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-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-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, A-Aliphatic-Carbon, Vinyl-Group
R6 = H, A-Aliphatic-Carbon, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Alkane-and-EWG2-Nitrile-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Nitrite-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-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-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-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, A-Aliphatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-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
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Thiol-Michael-Addition-EWG-Nitrite

References: 0,1

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
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

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

Reactants

Products

Michael-Addition-EWG1-Alkane-and-EWG2-Carbonyl-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Carbon
R7 = H, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, A-Aliphatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Nitrite-and-EWG2-Phosphonate-EWG3-Carbonyl

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
R4 = H, A-Aliphatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Alkane-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-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Aza-Baylis-Hillman-Reaction-EWG-Phosphonate

References: 0,1

Condition to enforce:

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

Reactants

Products

Michael-Addition-EWG1-Nitrite-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-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-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-Carbon, A-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, A-Aliphatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Nitrile-Michael-Addition-EWG-Nitrile

References: 0,1,2

Condition to enforce:

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

Avoid formation of:

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

Reactants

Products

Thiol-Michael-Addition-EWG-Carbonyl

References: 0,1

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
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

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

Reactants

Products

Azo-Michael-Addition-EWG-Carbonyl

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
R4 = H, 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 = 4-membered-ring, 3-membered-ring

Reactants

Products

Azo-Michael-Addition-EWG-Carboxyl

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

Avoid formation of:

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

Reactants

Products

Michael-Addition-EWG1-Phosphonate-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
R4 = H, A-Aliphatic-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 = 4-membered-ring

Reactants

Products

Michael-Addition-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
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Nitrite-and-EWG2-Sulfonyl-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Nitrile-and-EWG2-Phosphonate-EWG3-Carbonyl

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
R4 = H, A-Aliphatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Phosphonate-and-EWG2-Sulfonyl-EWG3-Carbonyl

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
R4 = H, A-Aliphatic-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 = 4-membered-ring

Reactants

Products

Thiol-Michael-Addition-EWG-Carboxyl

References: 0,1

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
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

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

Reactants

Products

Michael-Addition-EWG1-Carbonyl-and-EWG2-Nitrite-EWG3-Ester

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Nitrile-Michael-Addition-EWG-Phosphonate

References: 0,1,2

Condition to enforce:

R1 = H, A-Aliphatic-Carbon
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 = 4-membered-ring, 3-membered-ring

Reactants

Products

Michael-Addition-EWG1-Nitrite-and-EWG2-Nitrite-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Aza-Baylis-Hillman-Reaction-EWG-Nitrile

References: 0,1

Condition to enforce:

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

Reactants

Products

Michael-Addition-EWG1-Alkane-and-EWG2-Sulfonyl-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = H, A-Aliphatic-Carbon
R7 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Aza-Baylis-Hillman-Reaction-EWG-Carboxyl

References: 0,1

Condition to enforce:

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

Reactants

Products

Aza-Baylis-Hillman-Reaction-EWG-Amide

References: 0,1

Condition to enforce:

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

Reactants

Products

Michael-Addition-EWG1-Phosphonate-and-EWG2-Sulfonyl-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R7 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R8 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Nitrile-Michael-Addition-EWG-Nitrite

References: 0,1,2

Condition to enforce:

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

Avoid formation of:

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

Reactants

Products

Aza-Baylis-Hillman-Reaction-EWG-Carbonyl

References: 0,1

Condition to enforce:

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

Reactants

Products

Michael-Addition-EWG1-Carbonyl-and-EWG2-Carboxyl-EWG3-Carbonyl

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

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-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-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon, A-Aliphatic-Nitrogen, A-Aromatic-Carbon, Vinyl-Group

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Alkane-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-Aromatic-Carbon
R3 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R4 = H, A-Aliphatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R7 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Alkoxide-Michael-Addition-EWG-Phosphonate

References: 0,1,2

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
R4 = H, 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, 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

Aza-Baylis-Hillman-Reaction-EWG-Nitrite

References: 0,1

Condition to enforce:

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

Reactants

Products

Michael-Addition-EWG1-Nitrite-and-EWG2-Nitrite-EWG3-Carbonyl

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
R4 = H, A-Aliphatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Michael-Addition-EWG1-Nitrite-and-EWG2-Phosphonate-EWG3-Ester

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
R4 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = H, A-Aliphatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R7 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

fragment = 4-membered-ring

Reactants

Products

Thiol-Michael-Addition-EWG-Phosphonate

References: 0,1

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
R4 = H, A-Aliphatic-Carbon, A-Aromatic-Carbon
R5 = A-Aliphatic-Carbon, A-Aromatic-Carbon
R6 = A-Aliphatic-Carbon, A-Aromatic-Carbon

Avoid formation of:

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

Reactants

Products