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EVODEX.1-R5538

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][N:11]([C:10]([C:9]([C:7]([N:6]([C@:5]([C:3]([O:2][C:1]([H:43])([H:44])[H:45])=[O:4])([C:12]([C:13]([H:35])([H:36])[H:37])([C:14]([H:38])([H:39])[H:40])[H:41])[H:42])[H:34])=[O:8])([H:32])[H:33])([H:30])[H:31])[H:28].[N:15]([C:16]([C:17]([C:18](=[O:19])[O:20][C:21]([C:22]1:[C:23]([H:46]):[C:24]([H:47]):[C:25]([H:48]):[C:26]([H:49]):[C:27]:1[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58]>>[C:1]([O:2][C:3](=[O:4])[C@@:5]([N:6]([C:7](=[O:8])[C:9]([C:10]([N:11]([C:18]([C:17]([C:16]([N:15]([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])=[O:19])[H:28])([H:30])[H:31])([H:32])[H:33])[H:34])([C:12]([C:13]([H:35])([H:36])[H:37])([C:14]([H:38])([H:39])[H:40])[H:41])[H:42])([H:43])([H:44])[H:45].[H][O:20][C:21]([C:22]1:[C:23]([H:46]):[C:24]([H:47]):[C:25]([H:48]):[C:26]([H:49]):[C:27]:1[H:50])([H:51])[H:52]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
238038 L-Val-OMe + beta-Ala-OBzl + beta-Ala-OBzl = (beta-Ala)2-L-Val-OMe + benzyl alcohol False Streptomyces thermocyaneoviolaceus nan 3.4.11.24

Derived Partial Reactions

EVODEX.1-P4721

[H][N:11]([C:10]([C:9]([C:7]([N:6]([C@:5]([C:3]([O:2][C:1]([H:43])([H:44])[H:45])=[O:4])([C:12]([C:13]([H:35])([H:36])[H:37])([C:14]([H:38])([H:39])[H:40])[H:41])[H:42])[H:34])=[O:8])([H:32])[H:33])([H:30])[H:31])[H:28].[N:15]([C:16]([C:17]([C:18](=[O:19])[O:20][C:21]([C:22]1:[C:23]([H:46]):[C:24]([H:47]):[C:25]([H:48]):[C:26]([H:49]):[C:27]:1[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58]>>[C:1]([O:2][C:3](=[O:4])[C@@:5]([N:6]([C:7](=[O:8])[C:9]([C:10]([N:11]([C:18]([C:17]([C:16]([N:15]([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])=[O:19])[H:28])([H:30])[H:31])([H:32])[H:33])[H:34])([C:12]([C:13]([H:35])([H:36])[H:37])([C:14]([H:38])([H:39])[H:40])[H:41])[H:42])([H:43])([H:44])[H:45].[H][O:20][C:21]([C:22]1:[C:23]([H:46]):[C:24]([H:47]):[C:25]([H:48]):[C:26]([H:49]):[C:27]:1[H:50])([H:51])[H:52]

[H][N:11]([C:10]([C:9]([C:7]([N:6]([C@:5]([C:3]([O:2][C:1]([H:43])([H:44])[H:45])=[O:4])([C:12]([C:13]([H:35])([H:36])[H:37])([C:14]([H:38])([H:39])[H:40])[H:41])[H:42])[H:34])=[O:8])([H:32])[H:33])([H:30])[H:31])[H:28].[N:15]([C:16]([C:17]([C:18](=[O:19])[O:20][C:21]([C:22]1:[C:23]([H:46]):[C:24]([H:47]):[C:25]([H:48]):[C:26]([H:49]):[C:27]:1[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58]>>[C:1]([O:2][C:3](=[O:4])[C@@:5]([N:6]([C:7](=[O:8])[C:9]([C:10]([N:11]([C:18]([C:17]([C:16]([N:15]([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])=[O:19])[H:28])([H:30])[H:31])([H:32])[H:33])[H:34])([C:12]([C:13]([H:35])([H:36])[H:37])([C:14]([H:38])([H:39])[H:40])[H:41])[H:42])([H:43])([H:44])[H:45].[H][O:20][C:21]([C:22]1:[C:23]([H:46]):[C:24]([H:47]):[C:25]([H:48]):[C:26]([H:49]):[C:27]:1[H:50])([H:51])[H:52]