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EVODEX.1-R7128

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
298309 3-chloro-L-alanine + phenylmercaptan = S-phenyl-L-cysteine + Cl- False Escherichia coli nan 4.5.1.5

Derived Partial Reactions

EVODEX.1-P2622

[H][S:11][C:12]1:[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]([H:30]):[C:17]:1[H:31]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])[S:11][C:12]1:[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]([H:30]):[C:17]:1[H:31]

[H][S:11][C:12]1:[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]([H:30]):[C:17]:1[H:31]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])[S:11][C:12]1:[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]([H:30]):[C:17]:1[H:31]