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EVODEX.1-R4602

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
190541 4-nitrophenyl sulfate + 2-butanol = 4-nitrophenol + 2-butyl 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]