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EVODEX.1-R6833

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][O:4][C@@:3]([C:2]#[N:1])([C:5]1:[C:6]([H:14]):[C:7]([Cl:8]):[C:9]([H:15]):[C:10]([H:16]):[C:11]:1[Cl:12])[H:17]>>[C:3](=[O:4])([C:5]1:[C:6]([H:14]):[C:7]([Cl:8]):[C:9]([H:15]):[C:10]([H:16]):[C:11]:1[Cl:12])[H:17].[H][C:2]#[N:1]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
281098 HCN + 2,5-dichlorobenzaldehyde = (R)-2-hydroxy-2-(2,5-dichlorophenyl)acetonitrile False Prunus mume nan 4.1.2.10

Derived Partial Reactions

EVODEX.1-P6227

[H][O:4][C@@:3]([C:2]#[N:1])([C:5]1:[C:6]([H:14]):[C:7]([Cl:8]):[C:9]([H:15]):[C:10]([H:16]):[C:11]:1[Cl:12])[H:17]>>[C:3](=[O:4])([C:5]1:[C:6]([H:14]):[C:7]([Cl:8]):[C:9]([H:15]):[C:10]([H:16]):[C:11]:1[Cl:12])[H:17].[H][C:2]#[N:1]

[H][O:4][C@@:3]([C:2]#[N:1])([C:5]1:[C:6]([H:14]):[C:7]([Cl:8]):[C:9]([H:15]):[C:10]([H:16]):[C:11]:1[Cl:12])[H:17]>>[C:3](=[O:4])([C:5]1:[C:6]([H:14]):[C:7]([Cl:8]):[C:9]([H:15]):[C:10]([H:16]):[C:11]:1[Cl:12])[H:17].[H][C:2]#[N:1]