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EVODEX.1-R6229

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]1([C:3]([H:26])([H:27])[H:28])[S:4][C@:5]2([H:29])[C@@:6]([N:7]([H:30])[H:31])([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:15]([C:16](=[O:17])[C@:18]([N:19]([H:38])[H:39])([C:20]1:[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]([H:43]):[C:25]:1[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:15]([C:16](=[O:17])[C@:18]([N:19]([H:38])[H:39])([C:20]3:[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]([H:43]):[C:25]:3[H:44])[H:45])[H:46])([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]([H:30])[H:31]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
253245 D-phenylglycine amide + 6-aminopenicillanic acid = ampicillin + NH3 {r} False Escherichia coli nan 3.5.1.11

Derived Partial Reactions

EVODEX.1-P5488

[C:1]([C:2]1([C:3]([H:26])([H:27])[H:28])[S:4][C@:5]2([H:29])[C@@:6]([N:7]([H:30])[H:31])([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:15]([C:16](=[O:17])[C@:18]([N:19]([H:38])[H:39])([C:20]1:[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]([H:43]):[C:25]:1[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:15]([C:16](=[O:17])[C@:18]([N:19]([H:38])[H:39])([C:20]3:[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]([H:43]):[C:25]:3[H:44])[H:45])[H:46])([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]([H:30])[H:31]

[C:1]([C:2]1([C:3]([H:26])([H:27])[H:28])[S:4][C@:5]2([H:29])[C@@:6]([N:7]([H:30])[H:31])([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:15]([C:16](=[O:17])[C@:18]([N:19]([H:38])[H:39])([C:20]1:[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]([H:43]):[C:25]:1[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:15]([C:16](=[O:17])[C@:18]([N:19]([H:38])[H:39])([C:20]3:[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]([H:43]):[C:25]:3[H:44])[H:45])[H:46])([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]([H:30])[H:31]