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EVODEX.1-R5141

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([O:3][P:4](=[O:5])([O:6][C:7]([C:8]([H:20])([H:21])[H:22])([H:23])[H:24])[S:9][C:10]([C:11]([N:12]([C:13]([C:14]([H:25])([H:26])[H:27])([C:15]([H:28])([H:29])[H:30])[H:31])[C:16]([C:17]([H:32])([H:33])[H:34])([C:18]([H:35])([H:36])[H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])([H:46])[H:47].[H][O:19][H:48]>>[C:7]([C:8]([H:20])([H:21])[H:22])([O:19][H:48])([H:23])[H:24].[H][O:6][P:4]([O:3][C:2]([C:1]([H:45])([H:46])[H:47])([H:43])[H:44])(=[O:5])[S:9][C:10]([C:11]([N:12]([C:13]([C:14]([H:25])([H:26])[H:27])([C:15]([H:28])([H:29])[H:30])[H:31])[C:16]([C:17]([H:32])([H:33])[H:34])([C:18]([H:35])([H:36])[H:37])[H:38])([H:39])[H:40])([H:41])[H:42]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
217091 (S)-[2-[di(propan-2-yl)amino]ethyl] O,O-diethyl phosphorothioate + H2O = diethyl phosphate + 2-[di(propan-2-yl)amino]ethane-1-thiol False Brevundimonas diminuta P0A434 uniprot 3.1.8.1

Derived Partial Reactions

EVODEX.1-P4299

[H]C([H])([H])C([H])([H])[O:6][P:4]([O:3][C:2]([C:1]([H:45])([H:46])[H:47])([H:43])[H:44])(=[O:5])[S:9][C:10]([C:11]([N:12]([C:13]([C:14]([H:25])([H:26])[H:27])([C:15]([H:28])([H:29])[H:30])[H:31])[C:16]([C:17]([H:32])([H:33])[H:34])([C:18]([H:35])([H:36])[H:37])[H:38])([H:39])[H:40])([H:41])[H:42]>>[H][O:6][P:4]([O:3][C:2]([C:1]([H:45])([H:46])[H:47])([H:43])[H:44])(=[O:5])[S:9][C:10]([C:11]([N:12]([C:13]([C:14]([H:25])([H:26])[H:27])([C:15]([H:28])([H:29])[H:30])[H:31])[C:16]([C:17]([H:32])([H:33])[H:34])([C:18]([H:35])([H:36])[H:37])[H:38])([H:39])[H:40])([H:41])[H:42]

[H]C([H])([H])C([H])([H])[O:6][P:4]([O:3][C:2]([C:1]([H:45])([H:46])[H:47])([H:43])[H:44])(=[O:5])[S:9][C:10]([C:11]([N:12]([C:13]([C:14]([H:25])([H:26])[H:27])([C:15]([H:28])([H:29])[H:30])[H:31])[C:16]([C:17]([H:32])([H:33])[H:34])([C:18]([H:35])([H:36])[H:37])[H:38])([H:39])[H:40])([H:41])[H:42]>>[H][O:6][P:4]([O:3][C:2]([C:1]([H:45])([H:46])[H:47])([H:43])[H:44])(=[O:5])[S:9][C:10]([C:11]([N:12]([C:13]([C:14]([H:25])([H:26])[H:27])([C:15]([H:28])([H:29])[H:30])[H:31])[C:16]([C:17]([H:32])([H:33])[H:34])([C:18]([H:35])([H:36])[H:37])[H:38])([H:39])[H:40])([H:41])[H:42]