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EVODEX.1-R5522

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
237994 L-His-OMe + beta-Ala-OBzl = beta-Ala-L-His-OMe + benzyl alcohol False Streptomyces thermocyaneoviolaceus nan 3.4.11.24

Derived Partial Reactions

EVODEX.1-P4704

[H][N:6]([C@:5]([C:3]([O:2][C:1]([H:34])([H:35])[H:36])=[O:4])([C:7]([C:8]1:[C:9]([H:28]):[N:10]:[C:11]([H:29]):[N:12]:1[H:30])([H:31])[H:32])[H:33])[H:26]>>[H]N([H])C([H])([H])C([H])([H])C(=O)[N:6]([C@:5]([C:3]([O:2][C:1]([H:34])([H:35])[H:36])=[O:4])([C:7]([C:8]1:[C:9]([H:28]):[N:10]:[C:11]([H:29]):[N:12]:1[H:30])([H:31])[H:32])[H:33])[H:26]

[H][N:6]([C@:5]([C:3]([O:2][C:1]([H:34])([H:35])[H:36])=[O:4])([C:7]([C:8]1:[C:9]([H:28]):[N:10]:[C:11]([H:29]):[N:12]:1[H:30])([H:31])[H:32])[H:33])[H:26]>>[H]N([H])C([H])([H])C([H])([H])C(=O)[N:6]([C@:5]([C:3]([O:2][C:1]([H:34])([H:35])[H:36])=[O:4])([C:7]([C:8]1:[C:9]([H:28]):[N:10]:[C:11]([H:29]):[N:12]:1[H:30])([H:31])[H:32])[H:33])[H:26]