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EVODEX.1-R4621

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][O:9][C:8]1:[C:7]([H:27]):[C:6]([H:26]):[C:5]([N:4]([C:2]([C:1]([H:32])([H:33])[H:34])=[O:3])[H:31]):[C:11]([H:30]):[C:10]:1[H:29].[O:12]=[N+:13]([O-:14])[C:15]1:[C:16]([H:35]):[C:17]([H:36]):[C:18]([O:19][S:20](=[O:21])(=[O:22])[O:23][H:37]):[C:24]([H:38]):[C:25]:1[H:39]>>[C:1]([C:2](=[O:3])[N:4]([C:5]1:[C:6]([H:26]):[C:7]([H:27]):[C:8]([O:9][S:20](=[O:21])(=[O:22])[O:23][H:37]):[C:10]([H:29]):[C:11]:1[H:30])[H:31])([H:32])([H:33])[H:34].[H][O:19][C:18]1:[C:17]([H:36]):[C:16]([H:35]):[C:15]([N+:13](=[O:12])[O-:14]):[C:25]([H:39]):[C:24]:1[H:38]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
190564 4-nitrophenyl sulfate + 4-acetaminophen = 4-nitrophenol + 4-acetaminophenylsulfate False Citrobacter freundii Q939L2 swissprot 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]