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EVODEX.1-R4557

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][O:30][C:29]1:[C:28]([H:40]):[C:27]([H:39]):[C:26]2:[O:25]:[C:18]([C:19]3:[C:20]([H:34]):[C:21]([H:35]):[C:22]([H:36]):[C:23]([H:37]):[C:24]:3[H:38]):[C:17]([H:33]):[C:16](=[O:15]):[C:32]:2:[C:31]:1[H:42].[O:1]=[N+:2]([O-:3])[C:4]1:[C:5]([H:43]):[C:6]([H:44]):[C:7]([O:8][S:9](=[O:10])(=[O:11])[O:12][H:45]):[C:13]([H:46]):[C:14]:1[H:47]>>[H][O:8][C:7]1:[C:6]([H:44]):[C:5]([H:43]):[C:4]([N+:2](=[O:1])[O-:3]):[C:14]([H:47]):[C:13]:1[H:46].[S:9](=[O:10])(=[O:11])([O:12][H:45])[O:30][C:29]1:[C:28]([H:40]):[C:27]([H:39]):[C:26]2:[O:25]:[C:18]([C:19]3:[C:20]([H:34]):[C:21]([H:35]):[C:22]([H:36]):[C:23]([H:37]):[C:24]:3[H:38]):[C:17]([H:33]):[C:16](=[O:15]):[C:32]:2:[C:31]:1[H:42]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
189311 4-nitrophenyl sulfate + 6-hydroxyflavone = 4-nitrophenol + 4-oxo-2-phenyl-4H-1-benzopyran-6-yl sulfate False Desulfitobacterium hafniense nan 2.8.2.1

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]

EVODEX.1-P3731

[H][O:30][C:29]1:[C:28]([H:40]):[C:27]([H:39]):[C:26]2:[O:25]:[C:18]([C:19]3:[C:20]([H:34]):[C:21]([H:35]):[C:22]([H:36]):[C:23]([H:37]):[C:24]:3[H:38]):[C:17]([H:33]):[C:16](=[O:15]):[C:32]:2:[C:31]:1[H:42].[O:1]=[N+:2]([O-:3])[C:4]1:[C:5]([H:43]):[C:6]([H:44]):[C:7]([O:8][S:9](=[O:10])(=[O:11])[O:12][H:45]):[C:13]([H:46]):[C:14]:1[H:47]>>[H][O:8][C:7]1:[C:6]([H:44]):[C:5]([H:43]):[C:4]([N+:2](=[O:1])[O-:3]):[C:14]([H:47]):[C:13]:1[H:46].[S:9](=[O:10])(=[O:11])([O:12][H:45])[O:30][C:29]1:[C:28]([H:40]):[C:27]([H:39]):[C:26]2:[O:25]:[C:18]([C:19]3:[C:20]([H:34]):[C:21]([H:35]):[C:22]([H:36]):[C:23]([H:37]):[C:24]:3[H:38]):[C:17]([H:33]):[C:16](=[O:15]):[C:32]:2:[C:31]:1[H:42]

[H][O:30][C:29]1:[C:28]([H:40]):[C:27]([H:39]):[C:26]2:[O:25]:[C:18]([C:19]3:[C:20]([H:34]):[C:21]([H:35]):[C:22]([H:36]):[C:23]([H:37]):[C:24]:3[H:38]):[C:17]([H:33]):[C:16](=[O:15]):[C:32]:2:[C:31]:1[H:42].[O:1]=[N+:2]([O-:3])[C:4]1:[C:5]([H:43]):[C:6]([H:44]):[C:7]([O:8][S:9](=[O:10])(=[O:11])[O:12][H:45]):[C:13]([H:46]):[C:14]:1[H:47]>>[H][O:8][C:7]1:[C:6]([H:44]):[C:5]([H:43]):[C:4]([N+:2](=[O:1])[O-:3]):[C:14]([H:47]):[C:13]:1[H:46].[S:9](=[O:10])(=[O:11])([O:12][H:45])[O:30][C:29]1:[C:28]([H:40]):[C:27]([H:39]):[C:26]2:[O:25]:[C:18]([C:19]3:[C:20]([H:34]):[C:21]([H:35]):[C:22]([H:36]):[C:23]([H:37]):[C:24]:3[H:38]):[C:17]([H:33]):[C:16](=[O:15]):[C:32]:2:[C:31]:1[H:42]