EVODEX Logo

EVODEX.1-R5119

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
216257 (2R)-1-(4-chlorophenyl)propan-2-yl sulfate + H2O = (2S)-1-(4-chlorophenyl)propan-2-ol + sulfate False Sulfolobus acidocaldarius nan 3.1.6.19

Derived Partial Reactions

EVODEX.1-P4272

[H]OS(=O)(=O)O[C@:2]([C:1]([H:25])([H:26])[H:27])([C:3]([C:4]1:[C:5]([H:17]):[C:6]([H:18]):[C:7]([Cl:8]):[C:9]([H:19]):[C:10]:1[H:20])([H:21])[H:22])[H:24].[H][O:16][H:28]>>[C:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:17]):[C:6]([H:18]):[C:7]([Cl:8]):[C:9]([H:19]):[C:10]:1[H:20])([H:21])[H:22])([O:16][H:28])[H:24])([H:25])([H:26])[H:27]

[H]OS(=O)(=O)O[C@:2]([C:1]([H:25])([H:26])[H:27])([C:3]([C:4]1:[C:5]([H:17]):[C:6]([H:18]):[C:7]([Cl:8]):[C:9]([H:19]):[C:10]:1[H:20])([H:21])[H:22])[H:24].[H][O:16][H:28]>>[C:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:17]):[C:6]([H:18]):[C:7]([Cl:8]):[C:9]([H:19]):[C:10]:1[H:20])([H:21])[H:22])([O:16][H:28])[H:24])([H:25])([H:26])[H:27]