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EVODEX.1-R4908

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
198732 ampicillin + H2O = (R)-2-phenylglycine + 6-aminopenicillanic acid False Xanthomonas sp. nan 3.1.1.43

Derived Partial Reactions

EVODEX.1-P4065

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

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