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EVODEX.1-R6238

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[O:2]=[C:3]([C:4]([C:5]([C:6]([C:7]([C@:8]1([H:30])[S:9][C:10]([H:31])([H:32])[C@:11]2([H:33])[N:12]([H:34])[C:13](=[O:14])[N:15]([H:35])[C@:16]12[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[N:17]([C:18]1:[C:19]([H:45]):[C:20]([H:46]):[C:21]([N+:22](=[O:23])[O:24][H:47]):[C:25]([H:48]):[C:26]:1[C:27](=[O:28])[O:29][H:49])[H:50].[H][O:1][H:51]>>[H][N:17]([C:18]1:[C:19]([H:45]):[C:20]([H:46]):[C:21]([N+:22](=[O:23])[O:24][H:47]):[C:25]([H:48]):[C:26]:1[C:27](=[O:28])[O:29][H:49])[H:50].[O:1]([C:3](=[O:2])[C:4]([C:5]([C:6]([C:7]([C@:8]1([H:30])[S:9][C:10]([H:31])([H:32])[C@:11]2([H:33])[N:12]([H:34])[C:13](=[O:14])[N:15]([H:35])[C@:16]12[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:51]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
253453 2-(N-biotinyl)-amino-5-nitro-benzoic acid + H2O = biotin + 2-amino-5-nitrobenzoic acid False Sus scrofa nan 3.5.1.12

Derived Partial Reactions

EVODEX.1-P5499

[H]N1C(=O)N([H])[C@@]2([H])C([H])([H])S[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[N:17]([C:18]3:[C:19]([H:45]):[C:20]([H:46]):[C:21]([N+:22](=[O:23])[O:24][H:47]):[C:25]([H:48]):[C:26]:3[C:27](=[O:28])[O:29][H:49])[H:50])[C@@]12[H]>>[H][N:17]([C:18]1:[C:19]([H:45]):[C:20]([H:46]):[C:21]([N+:22](=[O:23])[O:24][H:47]):[C:25]([H:48]):[C:26]:1[C:27](=[O:28])[O:29][H:49])[H:50]

[H]N1C(=O)N([H])[C@@]2([H])C([H])([H])S[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[N:17]([C:18]3:[C:19]([H:45]):[C:20]([H:46]):[C:21]([N+:22](=[O:23])[O:24][H:47]):[C:25]([H:48]):[C:26]:3[C:27](=[O:28])[O:29][H:49])[H:50])[C@@]12[H]>>[H][N:17]([C:18]1:[C:19]([H:45]):[C:20]([H:46]):[C:21]([N+:22](=[O:23])[O:24][H:47]):[C:25]([H:48]):[C:26]:1[C:27](=[O:28])[O:29][H:49])[H:50]