reaction_rule_list.txt

Aldol Condensation
Benzilic Acid Rearrangement
Benzilic Acid Rearrangement (inverse)
Retro Aldol
Keto-enol migration twice
Amadori/Heyns Rearrangement
Ester Hydrolysis
Cannizarro 1
Cannizarro 2, glucose (oxidation)
Cannizarro 2, glucose (reduction)
Alkyne Addition, N, HH
Alkyne Addition, N, HC
Alkyne Addition, N, CC
Alkyne Addition, S, H
Alkyne Addition, S, C
Alkyne Addition, C
Knoevenagel C
Knoevenagel H
Knoevenagel C (inverse)
Knoevenagel H (inv)
DAMN Scission
Cyanogen Ammonolysis
Cyanamide Hydration
Carbamylation, SC
Carbamylation, SH
Carbamylation, N, HH
Carbamylation, N, HC
Carbamylation, N, CC
Cyanate from cyanogen
Ketone-Catalyzed Decarboxylation
Amadori Rearrangement
Thial -> Thiene
Sulfide to Nitrile Addition
Thioamidine to Amide Hydrolysis
Ketone/Aldehyde to Thioketone/Thial, HH
Ketone/Aldehyde to Thioketone/Thial, HC
Ketone/Aldehyde to Thioketone/Thial, CC
HCN to Ketone
Strecker Degradation Dicarbonyl, H, H, H, H
Strecker Degradation Dicarbonyl, H, H, H, C
Strecker Degradation Dicarbonyl, H, H, C, H
Strecker Degradation Dicarbonyl, H, H, C, C
Strecker Degradation Dicarbonyl, H, C, H, H
Strecker Degradation Dicarbonyl, H, C, H, C
Strecker Degradation Dicarbonyl, H, C, C, H
Strecker Degradation Dicarbonyl, H, C, C, C
Strecker Degradation Dicarbonyl, C, H, H, H
Strecker Degradation Dicarbonyl, C, H, H, C
Strecker Degradation Dicarbonyl, C, H, C, H
Strecker Degradation Dicarbonyl, C, H, C, C
Strecker Degradation Dicarbonyl, C, C, H, H
Strecker Degradation Dicarbonyl, C, C, H, C
Strecker Degradation Dicarbonyl, C, C, C, H
Strecker Degradation Dicarbonyl, C, C, C, C
Schiff Tautomerization
Alkyne Addition, N, HH, inverse
Alkyne Addition, S, H, inverse
Alkyne Addition, C, inverse
DAMN Scission, inverse
Cyanogen Ammonolysis, inverse
Cyanamide Hydration, inverse
Carbamylation, SC, inverse
Carbamylation, SH, inverse
Carbamylation, N, HH, inverse
Cyanate from cyanogen, inverse
Ketone-Catalyzed Decarboxylation, inverse
Amadori Rearrangement, inverse
Thial -> Thiene, inverse
Sulfide to Nitrile Addition, inverse
Thioamidine to Amide Hydrolysis, inverse
Ketone/Aldehyde to Thioketone/Thial, HH, inverse
HCN to Ketone, inverse
Strecker Degradation Dicarbonyl, H, H, H, H, inverse
5 Membered Ring Exoamine Hydrolysis
6 Membered Ring Exoamine Hydrolysis
Ammonolysis of Esters
Isocyanate Hydrolysis
Cyanamidation, SC
Cyanamidation, SH
Cyanamidation, N, HH
Cyanamidation, N, HC
Cyanamidation, N, CC
Nitrile Amination
HCN Addition to Nitriles
CN addition to iminonitriles
CN addition to aminodinitriles
Amide Hydrolysis
Amide Formation Hydrolysis, C
Alkene Addition, CN
Elimination + enol to keto
Elimination2
Dehydration of Amines
Deydration of Amines (inverse)
Hydration of C(=O)C
Hydration of C=C(O)
Enamine Hydration and Elimination
Deamination of Vicinal Diamine
Deamination of Vicinal Diamine, (inverse)
Deamination 2
Deamination 3
Deamination 3 (inverse)
Cyanohydrin Formation
Strecker Synthesis
Alpha-Beta Unsaturated Acid Decarboxylation
Beta-gamma Unsaturated Acid Decarboxylation
Mannich Addition
Mannich Addition (reverse)
Hemiacetal Formation for 5 membered rings
Hemiacetal Formation for 6 membered rings
Hemiacetal Formation for 7 membered rings
Hemiacetal Formation for 5 membered rings, inverse
Hemiacetal Formation for 6 membered rings, inverse
Hemiacetal Formation for 7 membered rings, inverse
Imine to Carbonyl
Amidine to Amide Hydrolysis
Imine to Enamine
Nitrile Hydrolysis
Transamination
Transamination (inverse)
Alpha-Keto Acid Decarboxylation
Beta Decarboxylation
Nitrile Ring Closure 5
Nitrile Ring Closure 6
Ring Closure 5 membered O, O
Ring Closure 5 membered O, N
Ring Closure 5 membered O, S
Ring Closure 5 membered N, O
Ring Closure 5 membered N, N
Ring Closure 5 membered N, S
Ring Closure 5 membered S, O
Ring Closure 5 membered S, N
Ring Closure 5 membered S, S
Ring Closure 6 membered O, O
Ring Closure 6 membered O, N
Ring Closure 6 membered O, S
Ring Closure 6 membered N, O
Ring Closure 6 membered N, N
Ring Closure 6 membered N, S
Ring Closure 6 membered S, O
Ring Closure 6 membered S, N
Ring Closure 6 membered S, S
Ring Closure 7 membered O, O
Ring Closure 7 membered O, N
Ring Closure 7 membered O, S
Ring Closure 7 membered N, O
Ring Closure 7 membered N, N
Ring Closure 7 membered N, S
Ring Closure 7 membered S, O
Ring Closure 7 membered S, N
Ring Closure 7 membered S, S
Ring Closure 5 membered, inverse O, O
Ring Closure 5 membered, inverse O, N
Ring Closure 5 membered, inverse O, S
Ring Closure 5 membered, inverse N, O
Ring Closure 5 membered, inverse N, N
Ring Closure 5 membered, inverse N, S
Ring Closure 5 membered, inverse S, O
Ring Closure 5 membered, inverse S, N
Ring Closure 5 membered, inverse S, S
Ring Closure 6 membered, inverse O, O
Ring Closure 6 membered, inverse O, N
Ring Closure 6 membered, inverse O, S
Ring Closure 6 membered, inverse N, O
Ring Closure 6 membered, inverse N, N
Ring Closure 6 membered, inverse N, S
Ring Closure 6 membered, inverse S, O
Ring Closure 6 membered, inverse S, N
Ring Closure 6 membered, inverse S, S
Ring Closure 7 membered, inverse O, O
Ring Closure 7 membered, inverse O, N
Ring Closure 7 membered, inverse O, S
Ring Closure 7 membered, inverse N, O
Ring Closure 7 membered, inverse N, N
Ring Closure 7 membered, inverse N, S
Ring Closure 7 membered, inverse S, O
Ring Closure 7 membered, inverse S, N
Ring Closure 7 membered, inverse S, S
Amine Nitrile Ring Closure 5
Amine Nitrile Ring Closure 6
Amine Imine Ring Closure 5
Amine Imine Ring Closure 6
Amidine Nitrile Ring Closure 6
Amide Nitrile Ring Closure 6
Amine Carbonyl Ring Closure, H, 5
Amine Carbonyl Ring Closure, C, 5
Amine Carbonyl Ring Closure, H, 6
Amine Carbonyl Ring Closure, C, 6
Michael Addition 0,0, 
Michael Addition 0,1, 
Michael Addition 0,2, 
Michael Addition 1,0, 
Michael Addition 1,1, 
Michael Addition 1,2, 
Michael Addition 2,0, 
Michael Addition 2,1, 
Michael Addition 2,2, 
Michael Addition 3,0, 
Michael Addition 3,1, 
Michael Addition 3,2, 
Michael Addition 0,0, (reverse)
Michael Addition 0,1, (reverse)
Michael Addition 0,2, (reverse)
Michael Addition 2,0, (reverse)
Michael Addition 2,1, (reverse)
Michael Addition 2,2, (reverse)
Strecker Degradation, HH
Strecker Degradation, HC
Strecker Degradation, CC