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EVODEX.1-R6588

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[N:1]#[C:2][C:3]([C:4]1:[C:5]([H:15]):[C:6]([H:16]):[C:7]([N+:8](=[O:9])[O-:10]):[C:11]([H:17]):[C:12]:1[H:18])([H:19])[H:20].[H][O:13][H].[H][O:14][H:23]>>[C:2]([C:3]([C:4]1:[C:5]([H:15]):[C:6]([H:16]):[C:7]([N+:8](=[O:9])[O-:10]):[C:11]([H:17]):[C:12]:1[H:18])([H:19])[H:20])(=[O:13])[O:14][H:23].[H][N:1]([H])[H]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
266839 4-nitrobenzylcyanide + H2O = 4-nitrophenylacetate + NH3 False Alcaligenes faecalis nan 3.5.5.5

Derived Partial Reactions

EVODEX.1-P5925

N#[C:2][C:3]([C:4]1:[C:5]([H:15]):[C:6]([H:16]):[C:7]([N+:8](=[O:9])[O-:10]):[C:11]([H:17]):[C:12]:1[H:18])([H:19])[H:20]>>[H]O[C:2](=O)[C:3]([C:4]1:[C:5]([H:15]):[C:6]([H:16]):[C:7]([N+:8](=[O:9])[O-:10]):[C:11]([H:17]):[C:12]:1[H:18])([H:19])[H:20]

N#[C:2][C:3]([C:4]1:[C:5]([H:15]):[C:6]([H:16]):[C:7]([N+:8](=[O:9])[O-:10]):[C:11]([H:17]):[C:12]:1[H:18])([H:19])[H:20]>>[H]O[C:2](=O)[C:3]([C:4]1:[C:5]([H:15]):[C:6]([H:16]):[C:7]([N+:8](=[O:9])[O-:10]):[C:11]([H:17]):[C:12]:1[H:18])([H:19])[H:20]