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EVODEX.1-R6222

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
253202 hydroxyphenylglycineamide + 7-aminodeacetoxycephalosporanic acid = cefadroxil + NH3 False Escherichia coli nan 3.5.1.11

Derived Partial Reactions

EVODEX.1-P5480

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

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