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EVODEX.1-R5532

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
238015 L-Phe-OEt + beta-Ala-OBzl = beta-Ala-L-Phe-OEt + benzyl alcohol False Streptomyces thermocyaneoviolaceus nan 3.4.11.24

Derived Partial Reactions

EVODEX.1-P4714

[C:1]([O:2][C:3](=[O:4])[C@:5]([C:6]([C:7]1:[C:8]([H:27]):[C:9]([H:28]):[C:10]([H:29]):[C:11]([H:30]):[C:12]:1[H:31])([H:32])[H:33])([N:13]([C:14](=[O:15])[C:16]([C:17]([N:18]([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])[H:40])[H:41])([H:42])([H:43])[H:44]>>[H]C1:C([H]):C([H]):C(C([H])([H])O[C:14](=[O:15])[C:16]([C:17]([N:18]([H:34])[H:35])([H:36])[H:37])([H:38])[H:39]):C([H]):C:1[H].[H][N:13]([C@:5]([C:3]([O:2][C:1]([H:42])([H:43])[H:44])=[O:4])([C:6]([C:7]1:[C:8]([H:27]):[C:9]([H:28]):[C:10]([H:29]):[C:11]([H:30]):[C:12]:1[H:31])([H:32])[H:33])[H:41])[H:40]

[C:1]([O:2][C:3](=[O:4])[C@:5]([C:6]([C:7]1:[C:8]([H:27]):[C:9]([H:28]):[C:10]([H:29]):[C:11]([H:30]):[C:12]:1[H:31])([H:32])[H:33])([N:13]([C:14](=[O:15])[C:16]([C:17]([N:18]([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])[H:40])[H:41])([H:42])([H:43])[H:44]>>[H]C1:C([H]):C([H]):C(C([H])([H])O[C:14](=[O:15])[C:16]([C:17]([N:18]([H:34])[H:35])([H:36])[H:37])([H:38])[H:39]):C([H]):C:1[H].[H][N:13]([C@:5]([C:3]([O:2][C:1]([H:42])([H:43])[H:44])=[O:4])([C:6]([C:7]1:[C:8]([H:27]):[C:9]([H:28]):[C:10]([H:29]):[C:11]([H:30]):[C:12]:1[H:31])([H:32])[H:33])[H:41])[H:40]