EVODEX Logo

EVODEX.1-R3846

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][C@:2]([N:1]([H:32])[H:33])([C:3]([C:4]([C:5](=[O:6])[O:7][H:25])([H:26])[H:27])([H:28])[H:29])[C:8](=[O:9])[O:10][H:30].[O:11]=[C:12]([O:13][H:34])[C:14](=[O:15])[C:16]([S:17][C:18]1:[C:19]([H:35]):[C:20]([H:36]):[C:21]([Br:22]):[C:23]([H:37]):[C:24]:1[H:38])([H:39])[H:40]>>[C:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:25])([H:26])[H:27])([H:28])[H:29])([C:8](=[O:9])[O:10][H:30])=[O:15].[H][C@@:14]([N:1]([H:32])[H:33])([C:12](=[O:11])[O:13][H:34])[C:16]([S:17][C:18]1:[C:19]([H:35]):[C:20]([H:36]):[C:21]([Br:22]):[C:23]([H:37]):[C:24]:1[H:38])([H:39])[H:40]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
157728 S-(4-bromophenyl)-L-cysteine + 2-oxoglutarate = S-(4-bromophenyl)-3-thiopyruvate + L-glutamate {r} True Rattus norvegicus nan 2.6.1.75

Derived Partial Reactions

EVODEX.1-P3211

[O:11]=[C:12]([O:13][H:34])[C:14](=[O:15])[C:16]([S:17][C:18]1:[C:19]([H:35]):[C:20]([H:36]):[C:21]([Br:22]):[C:23]([H:37]):[C:24]:1[H:38])([H:39])[H:40]>>[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)O[H])=[O:15].[H]N([H])[C@:14]([H])([C:12](=[O:11])[O:13][H:34])[C:16]([S:17][C:18]1:[C:19]([H:35]):[C:20]([H:36]):[C:21]([Br:22]):[C:23]([H:37]):[C:24]:1[H:38])([H:39])[H:40]

[O:11]=[C:12]([O:13][H:34])[C:14](=[O:15])[C:16]([S:17][C:18]1:[C:19]([H:35]):[C:20]([H:36]):[C:21]([Br:22]):[C:23]([H:37]):[C:24]:1[H:38])([H:39])[H:40]>>[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)O[H])=[O:15].[H]N([H])[C@:14]([H])([C:12](=[O:11])[O:13][H:34])[C:16]([S:17][C:18]1:[C:19]([H:35]):[C:20]([H:36]):[C:21]([Br:22]):[C:23]([H:37]):[C:24]:1[H:38])([H:39])[H:40]