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EVODEX.1-R4933

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
200085 propylthiocholine + H2O = thiocholine + propanol False Rhopalosiphum padi nan 3.1.1.7

Derived Partial Reactions

EVODEX.1-P4090

[C:1]([C:2]([C:3]([S:4][C:5]([C:6]([N+:7]([C:8]([H:12])([H:13])[H:14])([C:9]([H:15])([H:16])[H:17])[C:10]([H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])([H:30])[H:31]>>[H]O[C:3]([C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])([H:25])[H:26].[H][S:4][C:5]([C:6]([N+:7]([C:8]([H:12])([H:13])[H:14])([C:9]([H:15])([H:16])[H:17])[C:10]([H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24]

[C:1]([C:2]([C:3]([S:4][C:5]([C:6]([N+:7]([C:8]([H:12])([H:13])[H:14])([C:9]([H:15])([H:16])[H:17])[C:10]([H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])([H:30])[H:31]>>[H]O[C:3]([C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])([H:25])[H:26].[H][S:4][C:5]([C:6]([N+:7]([C:8]([H:12])([H:13])[H:14])([C:9]([H:15])([H:16])[H:17])[C:10]([H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24]