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EVODEX.1-R294

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
40602 2'-chloro-2,3-dihydroxybiphenyl + O2 = 2-hydroxy-6-oxo-6-(2'-chlorophenyl)-hexa-2,4-dienoate + H2O False Rhodococcus globerulus nan 1.13.11.39

Derived Partial Reactions

EVODEX.1-P255

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

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