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EVODEX.1-R5537

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

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-P4719

[H]N([H])C([H])([H])C([H])([H])C(=O)[N:6]([C@:5]([C:3]([O:2][C:1]([H:38])([H:39])[H:40])=[O:4])([C:12]([C:13]([H:30])([H:31])[H:32])([C:14]([H:33])([H:34])[H:35])[H:36])[H:37])[H:29]>>[H][N:6]([C@:5]([C:3]([O:2][C:1]([H:38])([H:39])[H:40])=[O:4])([C:12]([C:13]([H:30])([H:31])[H:32])([C:14]([H:33])([H:34])[H:35])[H:36])[H:37])[H:29]

[H]N([H])C([H])([H])C([H])([H])C(=O)[N:6]([C@:5]([C:3]([O:2][C:1]([H:38])([H:39])[H:40])=[O:4])([C:12]([C:13]([H:30])([H:31])[H:32])([C:14]([H:33])([H:34])[H:35])[H:36])[H:37])[H:29]>>[H][N:6]([C@:5]([C:3]([O:2][C:1]([H:38])([H:39])[H:40])=[O:4])([C:12]([C:13]([H:30])([H:31])[H:32])([C:14]([H:33])([H:34])[H:35])[H:36])[H:37])[H:29]

EVODEX.1-P4720

[C:1]([O:2][C:3](=[O:4])[C@@:5]([N:6]([C:7](=[O:8])[C:9]([C:10]([N:11]([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])[H:29])([C:12]([C:13]([H:30])([H:31])[H:32])([C:14]([H:33])([H:34])[H:35])[H:36])[H:37])([H:38])([H:39])[H:40]>>[H]C1:C([H]):C([H]):C(C([H])([H])O[C:7](=[O:8])[C:9]([C:10]([N:11]([H:23])[H:24])([H:25])[H:26])([H:27])[H:28]):C([H]):C:1[H].[H][N:6]([C@:5]([C:3]([O:2][C:1]([H:38])([H:39])[H:40])=[O:4])([C:12]([C:13]([H:30])([H:31])[H:32])([C:14]([H:33])([H:34])[H:35])[H:36])[H:37])[H:29]

[C:1]([O:2][C:3](=[O:4])[C@@:5]([N:6]([C:7](=[O:8])[C:9]([C:10]([N:11]([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])[H:29])([C:12]([C:13]([H:30])([H:31])[H:32])([C:14]([H:33])([H:34])[H:35])[H:36])[H:37])([H:38])([H:39])[H:40]>>[H]C1:C([H]):C([H]):C(C([H])([H])O[C:7](=[O:8])[C:9]([C:10]([N:11]([H:23])[H:24])([H:25])[H:26])([H:27])[H:28]):C([H]):C:1[H].[H][N:6]([C@:5]([C:3]([O:2][C:1]([H:38])([H:39])[H:40])=[O:4])([C:12]([C:13]([H:30])([H:31])[H:32])([C:14]([H:33])([H:34])[H:35])[H:36])[H:37])[H:29]