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EVODEX.1-R4626

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][N:1]([C:2]1:[C:3]([H:40]):[C:4]([H:41]):[C:5]([Cl:6]):[C:7]([H:42]):[C:8]:1[H:43])[H:44].[N:9]([C:10]1:[N:11]:[C:12]([H:46]):[N:13]:[C:14]2:[C:15]:1:[N:16]:[C:17]([H:47]):[N:18]:2[C@:19]1([H:48])[O:20][C@@:21]([C:22]([O:23][P:24](=[O:25])([O:26][H:49])[O:27][S:28](=[O:29])(=[O:30])[O:31][H:50])([H:51])[H:52])([H:53])[C@:32]([O:33][P:34](=[O:35])([O:36][H:54])[O:37][H:55])([H:56])[C@:38]1([O:39][H:57])[H:58])([H:59])[H:60]>>[H][O:27][P:24]([O:23][C:22]([C@@:21]1([H:53])[O:20][C@:19]([N:18]2:[C:14]3:[N:13]:[C:12]([H:46]):[N:11]:[C:10]([N:9]([H:59])[H:60]):[C:15]:3:[N:16]:[C:17]:2[H:47])([H:48])[C@@:38]([O:39][H:57])([H:58])[C@@:32]1([O:33][P:34](=[O:35])([O:36][H:54])[O:37][H:55])[H:56])([H:51])[H:52])(=[O:25])[O:26][H:49].[N:1]([C:2]1:[C:3]([H:40]):[C:4]([H:41]):[C:5]([Cl:6]):[C:7]([H:42]):[C:8]:1[H:43])([S:28](=[O:29])(=[O:30])[O:31][H:50])[H:44]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
190713 3'-phosphoadenylyl sulfate + 4-chloroaniline = adenosine 3',5'-bisphosphate + (4-chlorophenyl)sulfamic acid False Mus musculus nan 2.8.2.3

Derived Partial Reactions

EVODEX.1-P3763

[H][N:1]([C:2]1:[C:3]([H:40]):[C:4]([H:41]):[C:5]([Cl:6]):[C:7]([H:42]):[C:8]:1[H:43])[H:44]>>[H]OS(=O)(=O)[N:1]([C:2]1:[C:3]([H:40]):[C:4]([H:41]):[C:5]([Cl:6]):[C:7]([H:42]):[C:8]:1[H:43])[H:44]

[H][N:1]([C:2]1:[C:3]([H:40]):[C:4]([H:41]):[C:5]([Cl:6]):[C:7]([H:42]):[C:8]:1[H:43])[H:44]>>[H]OS(=O)(=O)[N:1]([C:2]1:[C:3]([H:40]):[C:4]([H:41]):[C:5]([Cl:6]):[C:7]([H:42]):[C:8]:1[H:43])[H:44]