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EVODEX.1-R5401

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C:3]1:[C:4]([H:21]):[C:5]([H:22]):[C:6]([C@@:7]2([H:23])[O:8][C@:9]2([C:10]2:[C:11]([H:24]):[C:12]([H:25]):[C:13]([C:14]([C:15]([H:26])([H:27])[H:28])([H:29])[H:30]):[C:16]([H:31]):[C:17]:2[H:32])[H:33]):[C:18]([H:34]):[C:19]:1[H:35])([H:36])[H:37])([H:38])([H:39])[H:40].[H][O:20][H:41]>>[H][O:8][C@:7]([C:6]1:[C:5]([H:22]):[C:4]([H:21]):[C:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37]):[C:19]([H:35]):[C:18]:1[H:34])([C@:9]([C:10]1:[C:11]([H:24]):[C:12]([H:25]):[C:13]([C:14]([C:15]([H:26])([H:27])[H:28])([H:29])[H:30]):[C:16]([H:31]):[C:17]:1[H:32])([O:20][H:41])[H:33])[H:23]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
236179 cis-4,4'-diethylstilbene oxide + H2O = (1R,2R)-1,2-bis(4-ethylphenyl)ethane-1,2-diol False Oryctolagus cuniculus nan 3.3.2.9

Derived Partial Reactions

EVODEX.1-P4566

[C:1]([C:2]([C:3]1:[C:4]([H:21]):[C:5]([H:22]):[C:6]([C@@:7]2([H:23])[O:8][C@:9]2([C:10]2:[C:11]([H:24]):[C:12]([H:25]):[C:13]([C:14]([C:15]([H:26])([H:27])[H:28])([H:29])[H:30]):[C:16]([H:31]):[C:17]:2[H:32])[H:33]):[C:18]([H:34]):[C:19]:1[H:35])([H:36])[H:37])([H:38])([H:39])[H:40].[H][O:20][H:41]>>[H][O:8][C@:7]([C:6]1:[C:5]([H:22]):[C:4]([H:21]):[C:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37]):[C:19]([H:35]):[C:18]:1[H:34])([C@:9]([C:10]1:[C:11]([H:24]):[C:12]([H:25]):[C:13]([C:14]([C:15]([H:26])([H:27])[H:28])([H:29])[H:30]):[C:16]([H:31]):[C:17]:1[H:32])([O:20][H:41])[H:33])[H:23]

[C:1]([C:2]([C:3]1:[C:4]([H:21]):[C:5]([H:22]):[C:6]([C@@:7]2([H:23])[O:8][C@:9]2([C:10]2:[C:11]([H:24]):[C:12]([H:25]):[C:13]([C:14]([C:15]([H:26])([H:27])[H:28])([H:29])[H:30]):[C:16]([H:31]):[C:17]:2[H:32])[H:33]):[C:18]([H:34]):[C:19]:1[H:35])([H:36])[H:37])([H:38])([H:39])[H:40].[H][O:20][H:41]>>[H][O:8][C@:7]([C:6]1:[C:5]([H:22]):[C:4]([H:21]):[C:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37]):[C:19]([H:35]):[C:18]:1[H:34])([C@:9]([C:10]1:[C:11]([H:24]):[C:12]([H:25]):[C:13]([C:14]([C:15]([H:26])([H:27])[H:28])([H:29])[H:30]):[C:16]([H:31]):[C:17]:1[H:32])([O:20][H:41])[H:33])[H:23]