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EVODEX.1-R295

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
40603 3',4',5'-trichloro-2,3-dihydroxybiphenyl + O2 = 2-hydroxy-6-oxo-6-(3',4',5'-trichlorophenyl)-hexa-2,4-dienoate + H2O False Rhodococcus globerulus nan 1.13.11.39

Derived Partial Reactions

EVODEX.1-P256

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

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