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EVODEX.1-R4898

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
198651 amoxicillin + H2O = D-4-hydroxyphenylglycine amide + 6-aminopenicillanic acid False Xanthomonas citri nan 3.1.1.43

Derived Partial Reactions

EVODEX.1-P4055

[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:8](=[O:9])[C@:10]([N:11]([H:31])[H:32])([C:12]3:[C:13]([H:33]):[C:14]([H:34]):[C:15]([O:16][H:35]):[C:17]([H:36]):[C:18]:3[H:37])[H:38])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:8](=[O:9])[C@:10]([N:11]([H:31])[H:32])([C:12]1:[C:13]([H:33]):[C:14]([H:34]):[C:15]([O:16][H:35]):[C:17]([H:36]):[C:18]:1[H:37])[H:38]

[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:8](=[O:9])[C@:10]([N:11]([H:31])[H:32])([C:12]3:[C:13]([H:33]):[C:14]([H:34]):[C:15]([O:16][H:35]):[C:17]([H:36]):[C:18]:3[H:37])[H:38])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:8](=[O:9])[C@:10]([N:11]([H:31])[H:32])([C:12]1:[C:13]([H:33]):[C:14]([H:34]):[C:15]([O:16][H:35]):[C:17]([H:36]):[C:18]:1[H:37])[H:38]