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EVODEX.1-R6680

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[N:1]([C:2]([C:3]([C:4](=[O:5])[C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([Cl:10]):[C:11]([H:19]):[C:12]:1[H:20])([H:21])[H:22])([C:13](=[O:14])[O:15][H:23])[H:24])([H:25])[H:26].[H][O:16][H:27]>>[C:4](=[O:5])([C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([Cl:10]):[C:11]([H:19]):[C:12]:1[H:20])[O:16][H:27].[H][C:3]([C:2]([N:1]([H:25])[H:26])([C:13](=[O:14])[O:15][H:23])[H:24])([H:21])[H:22]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
273622 beta-(4-chlorobenzoyl)-DL-alanine + H2O = 4-chlorobenzoate + beta-alanine False Pseudomonas fluorescens nan 3.7.1.3

Derived Partial Reactions

EVODEX.1-P6052

[H]OC(=O)C([H])(N([H])[H])C([H])([H])[C:4](=[O:5])[C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([Cl:10]):[C:11]([H:19]):[C:12]:1[H:20]>>[H]O[C:4](=[O:5])[C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([Cl:10]):[C:11]([H:19]):[C:12]:1[H:20]

[H]OC(=O)C([H])(N([H])[H])C([H])([H])[C:4](=[O:5])[C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([Cl:10]):[C:11]([H:19]):[C:12]:1[H:20]>>[H]O[C:4](=[O:5])[C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([Cl:10]):[C:11]([H:19]):[C:12]:1[H:20]