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EVODEX.1-R5400

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[Cl:1][C:2]1:[C:3]([H:19]):[C:4]([H:20]):[C:5]([C@@:6]2([H:21])[O:7][C@:8]2([C:9]2:[C:10]([H:22]):[C:11]([H:23]):[C:12]([Cl:13]):[C:14]([H:24]):[C:15]:2[H:25])[H:26]):[C:16]([H:27]):[C:17]:1[H:28].[H][O:18][H:29]>>[H][O:7][C@:8]([C@@:6]([C:5]1:[C:4]([H:20]):[C:3]([H:19]):[C:2]([Cl:1]):[C:17]([H:28]):[C:16]:1[H:27])([O:18][H:29])[H:21])([C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([Cl:13]):[C:14]([H:24]):[C:15]:1[H:25])[H:26]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
236178 cis-4,4'-dichlorostilbene oxide + H2O = (1R,2R)-1,2-bis(4-chlorophenyl)ethane-1,2-diol False Oryctolagus cuniculus nan 3.3.2.9

Derived Partial Reactions

EVODEX.1-P4565

[Cl:1][C:2]1:[C:3]([H:19]):[C:4]([H:20]):[C:5]([C@@:6]2([H:21])[O:7][C@:8]2([C:9]2:[C:10]([H:22]):[C:11]([H:23]):[C:12]([Cl:13]):[C:14]([H:24]):[C:15]:2[H:25])[H:26]):[C:16]([H:27]):[C:17]:1[H:28].[H][O:18][H:29]>>[H][O:7][C@:8]([C@@:6]([C:5]1:[C:4]([H:20]):[C:3]([H:19]):[C:2]([Cl:1]):[C:17]([H:28]):[C:16]:1[H:27])([O:18][H:29])[H:21])([C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([Cl:13]):[C:14]([H:24]):[C:15]:1[H:25])[H:26]

[Cl:1][C:2]1:[C:3]([H:19]):[C:4]([H:20]):[C:5]([C@@:6]2([H:21])[O:7][C@:8]2([C:9]2:[C:10]([H:22]):[C:11]([H:23]):[C:12]([Cl:13]):[C:14]([H:24]):[C:15]:2[H:25])[H:26]):[C:16]([H:27]):[C:17]:1[H:28].[H][O:18][H:29]>>[H][O:7][C@:8]([C@@:6]([C:5]1:[C:4]([H:20]):[C:3]([H:19]):[C:2]([Cl:1]):[C:17]([H:28]):[C:16]:1[H:27])([O:18][H:29])[H:21])([C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([Cl:13]):[C:14]([H:24]):[C:15]:1[H:25])[H:26]