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EVODEX.1-R146

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
30968 L-2-hydroxyisocaproate + 2,6-dichlorophenolindophenol = 2-oxoisocaproate + reduced 2,6-dichlorophenolindophenol False Rattus sp. nan 1.1.3.15

Derived Partial Reactions

EVODEX.1-P110

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

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