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EVODEX.1-R4750

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
192901 (S)-ibuprofen methyl ester + H2O = (S)-ibuprofen + methanol False Saccharolobus solfataricus nan 3.1.1.1

Derived Partial Reactions

EVODEX.1-P3892

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

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