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EVODEX.1-R6570

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[N:1]#[C:2][C:3]1:[C:4]([H:13]):[C:5]([H:14]):[C:6]([F:7]):[C:8]([Cl:9]):[C:10]:1[H:15].[H][O:11][H].[H][O:12][H:18]>>[C:2]([C:3]1:[C:4]([H:13]):[C:5]([H:14]):[C:6]([F:7]):[C:8]([Cl:9]):[C:10]:1[H:15])(=[O:11])[O:12][H:18].[H][N:1]([H])[H]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
266540 3-chloro-4-fluorobenzonitrile + H2O = 3-chloro-4-fluorobenzoic acid + NH3 False Aeribacillus pallidus nan 3.5.5.1

Derived Partial Reactions

EVODEX.1-P5897

N#[C:2][C:3]1:[C:4]([H:13]):[C:5]([H:14]):[C:6]([F:7]):[C:8]([Cl:9]):[C:10]:1[H:15]>>[H]O[C:2](=O)[C:3]1:[C:4]([H:13]):[C:5]([H:14]):[C:6]([F:7]):[C:8]([Cl:9]):[C:10]:1[H:15]

N#[C:2][C:3]1:[C:4]([H:13]):[C:5]([H:14]):[C:6]([F:7]):[C:8]([Cl:9]):[C:10]:1[H:15]>>[H]O[C:2](=O)[C:3]1:[C:4]([H:13]):[C:5]([H:14]):[C:6]([F:7]):[C:8]([Cl:9]):[C:10]:1[H:15]