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EVODEX.1-R5475

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[N:1]([C:2](=[O:3])[C:4]([C:5]1:[C:6]([H:30]):[C:7](=[O:8]):[O:9]:[C:10]2:[C:11]([H:31]):[C:12]([N:13]([C:14](=[O:15])[C@@:16]([N:17]([H:32])[H:33])([C:18]([C:19]3:[C:20]([H:34]):[C:21]([H:35]):[C:22]([Br:23]):[C:24]([H:36]):[C:25]:3[H:37])([H:38])[H:39])[H:40])[H:41]):[C:26]([H:42]):[C:27]([H:43]):[C:28]:1:2)([H:44])[H:45])([H:46])[H:47].[H][O:29][H:48]>>[C:14](=[O:15])([C@@:16]([N:17]([H:32])[H:33])([C:18]([C:19]1:[C:20]([H:34]):[C:21]([H:35]):[C:22]([Br:23]):[C:24]([H:36]):[C:25]:1[H:37])([H:38])[H:39])[H:40])[O:29][H:48].[H][N:13]([C:12]1:[C:11]([H:31]):[C:10]2:[O:9]:[C:7](=[O:8]):[C:6]([H:30]):[C:5]([C:4]([C:2]([N:1]([H:46])[H:47])=[O:3])([H:44])[H:45]):[C:28]:2:[C:27]([H:43]):[C:26]:1[H:42])[H:41]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
237335 4-Br-L-Phe-7-amido-4-carbamoylmethylcoumarin + H2O = 4-Br-L-Phe + 7-amino-4-carbamoylmethylcoumarin False Neisseria meningitidis nan 3.4.11.2

Derived Partial Reactions

EVODEX.1-P4654

[H]C1:C(N([H])[C:14](=[O:15])[C@@:16]([N:17]([H:32])[H:33])([C:18]([C:19]2:[C:20]([H:34]):[C:21]([H:35]):[C:22]([Br:23]):[C:24]([H:36]):[C:25]:2[H:37])([H:38])[H:39])[H:40]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])C(=O)N([H])[H]):C:2:C:1[H].[H][O:29][H:48]>>[C:14](=[O:15])([C@@:16]([N:17]([H:32])[H:33])([C:18]([C:19]1:[C:20]([H:34]):[C:21]([H:35]):[C:22]([Br:23]):[C:24]([H:36]):[C:25]:1[H:37])([H:38])[H:39])[H:40])[O:29][H:48]

[H]C1:C(N([H])[C:14](=[O:15])[C@@:16]([N:17]([H:32])[H:33])([C:18]([C:19]2:[C:20]([H:34]):[C:21]([H:35]):[C:22]([Br:23]):[C:24]([H:36]):[C:25]:2[H:37])([H:38])[H:39])[H:40]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])C(=O)N([H])[H]):C:2:C:1[H].[H][O:29][H:48]>>[C:14](=[O:15])([C@@:16]([N:17]([H:32])[H:33])([C:18]([C:19]1:[C:20]([H:34]):[C:21]([H:35]):[C:22]([Br:23]):[C:24]([H:36]):[C:25]:1[H:37])([H:38])[H:39])[H:40])[O:29][H:48]

EVODEX.1-P4655

[H]C1:C(N([H])[C:14](=[O:15])[C@@:16]([N:17]([H:32])[H:33])([C:18]([C:19]2:[C:20]([H:34]):[C:21]([H:35]):[C:22]([Br:23]):[C:24]([H:36]):[C:25]:2[H:37])([H:38])[H:39])[H:40]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])C(=O)N([H])[H]):C:2:C:1[H]>>[H]O[C:14](=[O:15])[C@@:16]([N:17]([H:32])[H:33])([C:18]([C:19]1:[C:20]([H:34]):[C:21]([H:35]):[C:22]([Br:23]):[C:24]([H:36]):[C:25]:1[H:37])([H:38])[H:39])[H:40]

[H]C1:C(N([H])[C:14](=[O:15])[C@@:16]([N:17]([H:32])[H:33])([C:18]([C:19]2:[C:20]([H:34]):[C:21]([H:35]):[C:22]([Br:23]):[C:24]([H:36]):[C:25]:2[H:37])([H:38])[H:39])[H:40]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])C(=O)N([H])[H]):C:2:C:1[H]>>[H]O[C:14](=[O:15])[C@@:16]([N:17]([H:32])[H:33])([C:18]([C:19]1:[C:20]([H:34]):[C:21]([H:35]):[C:22]([Br:23]):[C:24]([H:36]):[C:25]:1[H:37])([H:38])[H:39])[H:40]