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EVODEX.1-R5501

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]1:[C:3]([H:27]):[C:4](=[O:5]):[O:6]:[C:7]2:[C:8]([H:28]):[C:9]([N:10]([C:11](=[O:12])[C@@:13]([N:14]([H:29])[H:30])([C:15]([C:16]([C:17]3([H:31])[C:18]([H:32])([H:33])[C:19]([H:34])([H:35])[C:20]([H:36])([H:37])[C:21]([H:38])([H:39])[C:22]3([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])[H:46])[H:47]):[C:23]([H:48]):[C:24]([H:49]):[C:25]:1:2)([H:50])([H:51])[H:52].[H][O:26][H:53]>>[C:11](=[O:12])([C@@:13]([N:14]([H:29])[H:30])([C:15]([C:16]([C:17]1([H:31])[C:18]([H:32])([H:33])[C:19]([H:34])([H:35])[C:20]([H:36])([H:37])[C:21]([H:38])([H:39])[C:22]1([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])[H:46])[O:26][H:53].[H][N:10]([C:9]1:[C:8]([H:28]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:27]):[C:2]([C:1]([H:50])([H:51])[H:52]):[C:25]:2:[C:24]([H:49]):[C:23]:1[H:48])[H:47]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
237631 (S)-2-amino-4-cyclohexylbutanoyl-7-amido-4-methylcoumarin + H2O = (S)-2-amino-4-cyclohexylbutanoic acid + 7-amino-4-methylcoumarin False Eimeria tenella V5T9T8 uniprot 3.4.11.20

Derived Partial Reactions

EVODEX.1-P4681

[H]C1:C(N([H])[C:11](=[O:12])[C@@:13]([N:14]([H:29])[H:30])([C:15]([C:16]([C:17]2([H:31])[C:18]([H:32])([H:33])[C:19]([H:34])([H:35])[C:20]([H:36])([H:37])[C:21]([H:38])([H:39])[C:22]2([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])[H:46]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H]>>[H]O[C:11](=[O:12])[C@@:13]([N:14]([H:29])[H:30])([C:15]([C:16]([C:17]1([H:31])[C:18]([H:32])([H:33])[C:19]([H:34])([H:35])[C:20]([H:36])([H:37])[C:21]([H:38])([H:39])[C:22]1([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])[H:46]

[H]C1:C(N([H])[C:11](=[O:12])[C@@:13]([N:14]([H:29])[H:30])([C:15]([C:16]([C:17]2([H:31])[C:18]([H:32])([H:33])[C:19]([H:34])([H:35])[C:20]([H:36])([H:37])[C:21]([H:38])([H:39])[C:22]2([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])[H:46]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H]>>[H]O[C:11](=[O:12])[C@@:13]([N:14]([H:29])[H:30])([C:15]([C:16]([C:17]1([H:31])[C:18]([H:32])([H:33])[C:19]([H:34])([H:35])[C:20]([H:36])([H:37])[C:21]([H:38])([H:39])[C:22]1([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])[H:46]