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EVODEX.1-R293

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[O:1]=[O:2].[O:3]([C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]([H:21]):[C:8]([C:9]2:[C:10]([H:22]):[C:11]([H:23]):[C:12]([Cl:13]):[C:14]([H:24]):[C:15]:2[Cl:16]):[C:17]:1[O:18][H:25])[H:26]>>[O:1]=[C:8]([C:7](=[C:6]([C:5](=[C:4]([O:3][H:26])[C:17](=[O:2])[O:18][H:25])[H:19])[H:20])[H:21])[C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([Cl:13]):[C:14]([H:24]):[C:15]:1[Cl:16]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
40601 2',4'-dichloro-2,3-dihydroxybiphenyl + O2 = 2-hydroxy-6-oxo-6-(2',4'-dichlorophenyl)-hexa-2,4-dienoate + H2O False Rhodococcus globerulus nan 1.13.11.39

Derived Partial Reactions

EVODEX.1-P254

[O:3]([C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]([H:21]):[C:8]([C:9]2:[C:10]([H:22]):[C:11]([H:23]):[C:12]([Cl:13]):[C:14]([H:24]):[C:15]:2[Cl:16]):[C:17]:1[O:18][H:25])[H:26]>>O=[C:8]([C:7](=[C:6]([C:5](=[C:4]([O:3][H:26])[C:17](=O)[O:18][H:25])[H:19])[H:20])[H:21])[C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([Cl:13]):[C:14]([H:24]):[C:15]:1[Cl:16]

[O:3]([C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]([H:21]):[C:8]([C:9]2:[C:10]([H:22]):[C:11]([H:23]):[C:12]([Cl:13]):[C:14]([H:24]):[C:15]:2[Cl:16]):[C:17]:1[O:18][H:25])[H:26]>>O=[C:8]([C:7](=[C:6]([C:5](=[C:4]([O:3][H:26])[C:17](=O)[O:18][H:25])[H:19])[H:20])[H:21])[C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([Cl:13]):[C:14]([H:24]):[C:15]:1[Cl:16]