EVODEX Logo

EVODEX.1-R4889

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
198519 benzylcephalosporin + H2O = acetate + deacetylbenzylcephalosporin False Fusarium oxysporum nan 3.1.1.41

Derived Partial Reactions

EVODEX.1-P4046

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

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