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EVODEX.1-R4778

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
193538 D-methylphenidate + H2O = methanol + phenyl(piperidin-2-yl)acetate False Homo sapiens nan 3.1.1.1

Derived Partial Reactions

EVODEX.1-P3923

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

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