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EVODEX.1-R4600

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
190539 4-nitrophenyl sulfate + 1-phenylethanol = 4-nitrophenol + 1-phenylethyl sulfate False Desulfitobacterium hafniense nan 2.8.2.22

Derived Partial Reactions

EVODEX.1-P3728

[H]OS(=O)(=O)[O:35][C:34]1:[C:33]([H:58]):[C:32]([H:57]):[C:31]([N+:29](=[O:28])[O-:30]):[C:41]([H:61]):[C:40]:1[H:60]>>[H][O:35][C:34]1:[C:33]([H:58]):[C:32]([H:57]):[C:31]([N+:29](=[O:28])[O-:30]):[C:41]([H:61]):[C:40]:1[H:60]

[H]OS(=O)(=O)[O:35][C:34]1:[C:33]([H:58]):[C:32]([H:57]):[C:31]([N+:29](=[O:28])[O-:30]):[C:41]([H:61]):[C:40]:1[H:60]>>[H][O:35][C:34]1:[C:33]([H:58]):[C:32]([H:57]):[C:31]([N+:29](=[O:28])[O-:30]):[C:41]([H:61]):[C:40]:1[H:60]