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EVODEX.1-R4595

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
190527 4-nitrophenyl sulfate + 9-phenanthrol = 9-phenanthroyl sulfate + 4-nitrophenol False Klebsiella sp. 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]