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EVODEX.1-R5396

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[Cl:1][C:2]1=[C:3]([Cl:4])[C:5]2([Cl:6])[C:7]3([H:20])[C:8]([H:21])([H:22])[C:9]4([H:23])[O:10][C:11]4([H:24])[C:12]([H:25])([H:26])[C:13]3([H:27])[C:14]1([Cl:15])[C:16]2([Cl:17])[Cl:18].[H][O:19][H:28]>>[H][O:10][C@:9]1([H:23])[C:8]([H:21])([H:22])[C:7]2([H:20])[C:5]3([Cl:6])[C:3]([Cl:4])=[C:2]([Cl:1])[C:14]([Cl:15])([C:13]2([H:27])[C:12]([H:25])([H:26])[C:11]1([O:19][H:28])[H:24])[C:16]3([Cl:17])[Cl:18]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
236072 1,2,3,4,9,9-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1 4-methanonaphthalene + H2O = 1,2,3,4,9,9-hexachloro-1,4,4a,5,6,7,8,8a-octahydro-1 4-methanonaphthalene-6,7-diol False Mus musculus nan 3.3.2.9

Derived Partial Reactions

EVODEX.1-P4561

[Cl:1][C:2]1=[C:3]([Cl:4])[C:5]2([Cl:6])[C:7]3([H:20])[C:8]([H:21])([H:22])[C:9]4([H:23])[O:10][C:11]4([H:24])[C:12]([H:25])([H:26])[C:13]3([H:27])[C:14]1([Cl:15])[C:16]2([Cl:17])[Cl:18]>>[H]O[C:11]1([H:24])[C@@:9]([O:10][H])([H:23])[C:8]([H:21])([H:22])[C:7]2([H:20])[C:5]3([Cl:6])[C:3]([Cl:4])=[C:2]([Cl:1])[C:14]([Cl:15])([C:13]2([H:27])[C:12]1([H:25])[H:26])[C:16]3([Cl:17])[Cl:18]

[Cl:1][C:2]1=[C:3]([Cl:4])[C:5]2([Cl:6])[C:7]3([H:20])[C:8]([H:21])([H:22])[C:9]4([H:23])[O:10][C:11]4([H:24])[C:12]([H:25])([H:26])[C:13]3([H:27])[C:14]1([Cl:15])[C:16]2([Cl:17])[Cl:18]>>[H]O[C:11]1([H:24])[C@@:9]([O:10][H])([H:23])[C:8]([H:21])([H:22])[C:7]2([H:20])[C:5]3([Cl:6])[C:3]([Cl:4])=[C:2]([Cl:1])[C:14]([Cl:15])([C:13]2([H:27])[C:12]1([H:25])[H:26])[C:16]3([Cl:17])[Cl:18]