EVODEX Logo

EVODEX.1-R5402

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C: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]([C:13]([H:24])([H:25])[H:26]):[C:14]([H:27]):[C:15]:2[H:28])[H:29]):[C:16]([H:30]):[C:17]:1[H:31])([H:32])([H:33])[H:34].[H][O:18][H:35]>>[H][O:7][C@:8]([C@@:6]([C:5]1:[C:4]([H:20]):[C:3]([H:19]):[C:2]([C:1]([H:32])([H:33])[H:34]):[C:17]([H:31]):[C:16]:1[H:30])([O:18][H:35])[H:21])([C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([C:13]([H:24])([H:25])[H:26]):[C:14]([H:27]):[C:15]:1[H:28])[H:29]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
236181 cis-4,4'-dimethylstilbene oxide + H2O = (1R,2R)-1,2-bis(4-methylphenyl)ethane-1,2-diol False Oryctolagus cuniculus nan 3.3.2.9

Derived Partial Reactions

EVODEX.1-P4567

[C: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]([C:13]([H:24])([H:25])[H:26]):[C:14]([H:27]):[C:15]:2[H:28])[H:29]):[C:16]([H:30]):[C:17]:1[H:31])([H:32])([H:33])[H:34].[H][O:18][H:35]>>[H][O:7][C@:8]([C@@:6]([C:5]1:[C:4]([H:20]):[C:3]([H:19]):[C:2]([C:1]([H:32])([H:33])[H:34]):[C:17]([H:31]):[C:16]:1[H:30])([O:18][H:35])[H:21])([C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([C:13]([H:24])([H:25])[H:26]):[C:14]([H:27]):[C:15]:1[H:28])[H:29]

[C: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]([C:13]([H:24])([H:25])[H:26]):[C:14]([H:27]):[C:15]:2[H:28])[H:29]):[C:16]([H:30]):[C:17]:1[H:31])([H:32])([H:33])[H:34].[H][O:18][H:35]>>[H][O:7][C@:8]([C@@:6]([C:5]1:[C:4]([H:20]):[C:3]([H:19]):[C:2]([C:1]([H:32])([H:33])[H:34]):[C:17]([H:31]):[C:16]:1[H:30])([O:18][H:35])[H:21])([C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([C:13]([H:24])([H:25])[H:26]):[C:14]([H:27]):[C:15]:1[H:28])[H:29]

EVODEX.1-P4568

[C: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]([C:13]([H:24])([H:25])[H:26]):[C:14]([H:27]):[C:15]:2[H:28])[H:29]):[C:16]([H:30]):[C:17]:1[H:31])([H:32])([H:33])[H:34]>>[H]O[C@:6]([C:5]1:[C:4]([H:20]):[C:3]([H:19]):[C:2]([C:1]([H:32])([H:33])[H:34]):[C:17]([H:31]):[C:16]:1[H:30])([C@@:8]([O:7][H])([C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([C:13]([H:24])([H:25])[H:26]):[C:14]([H:27]):[C:15]:1[H:28])[H:29])[H:21]

[C: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]([C:13]([H:24])([H:25])[H:26]):[C:14]([H:27]):[C:15]:2[H:28])[H:29]):[C:16]([H:30]):[C:17]:1[H:31])([H:32])([H:33])[H:34]>>[H]O[C@:6]([C:5]1:[C:4]([H:20]):[C:3]([H:19]):[C:2]([C:1]([H:32])([H:33])[H:34]):[C:17]([H:31]):[C:16]:1[H:30])([C@@:8]([O:7][H])([C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([C:13]([H:24])([H:25])[H:26]):[C:14]([H:27]):[C:15]:1[H:28])[H:29])[H:21]