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EVODEX.1-R4585

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][O:10][C:9]1:[C:8]([H:41]):[C:7]([H:40]):[C:6]2:[C:12](:[C:11]:1[H:43])[C:13]([H:44])([H:45])[C:14]([H:46])([H:47])[C@:15]1([H:48])[C@:5]2([H:39])[C:4]([H:37])([H:38])[C:3]([H:35])([H:36])[C@@:2]2([C:1]([H:56])([H:57])[H:58])[C@@:16]1([H:49])[C:17]([H:50])([H:51])[C:18]([H:52])([H:53])[C@@:19]2([O:20][H:54])[H:55].[O:21]=[N+:22]([O-:23])[C:24]1:[C:25]([H:59]):[C:26]([H:60]):[C:27]([O:28][S:29](=[O:30])(=[O:31])[O:32][H:61]):[C:33]([H:62]):[C:34]:1[H:63]>>[C:1]([C@:2]12[C:3]([H:35])([H:36])[C:4]([H:37])([H:38])[C@:5]3([H:39])[C:6]4:[C:7]([H:40]):[C:8]([H:41]):[C:9]([O:10][S:29](=[O:30])(=[O:31])[O:32][H:61]):[C:11]([H:43]):[C:12]:4[C:13]([H:44])([H:45])[C:14]([H:46])([H:47])[C@@:15]3([H:48])[C@:16]1([H:49])[C:17]([H:50])([H:51])[C:18]([H:52])([H:53])[C@@:19]2([O:20][H:54])[H:55])([H:56])([H:57])[H:58].[H][O:28][C:27]1:[C:26]([H:60]):[C:25]([H:59]):[C:24]([N+:22](=[O:21])[O-:23]):[C:34]([H:63]):[C:33]:1[H:62]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
190502 4-nitrophenyl sulfate + estradiol = estradiol sulfate + 4-nitrophenol False Eubacterium 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]