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EVODEX.1-R5725

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C@:2]([N: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])([C:13](=[O:14])[O:15][H:22])[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][N:3]([C@@:2]([C:1]([H:24])([H:25])[H:26])([C:13](=[O:14])[O:15][H:22])[H:23])[H:21]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
241482 p-chlorobenzoyl-Ala + H2O = p-chlorobenzoate + Ala {ir} False Rhodococcus hoagii nan 3.4.17.6

Derived Partial Reactions

EVODEX.1-P4938

[H]OC(=O)[C@@]([H])(N([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])C([H])([H])[H]>>[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])[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])C([H])([H])[H]>>[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]