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EVODEX.1-R5389

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][O:1][H:23].[C:2]1([H:25]):[C:3]([H:26]):[C:4]([H:27]):[C:5]2:[C:6](:[C:7]:1[H:28]):[C:8]([H:29]):[C:9]1:[C:10]3:[C:11]:2:[C:12]([H:30]):[C:13]([H:31]):[C:14]2:[C:15]([H:32]):[C:16]([H:33]):[C:17]([H:34]):[C:18](:[C:19]:3:2)[C:20]2([H:35])[O:21][C:22]12[H:36]>>[H][O:21][C:22]1([H:36])[C:9]2:[C:8]([H:29]):[C:6]3:[C:5](:[C:4]([H:27]):[C:3]([H:26]):[C:2]([H:25]):[C:7]:3[H:28]):[C:11]3:[C:10]:2:[C:19]2:[C:14](:[C:13]([H:31]):[C:12]:3[H:30]):[C:15]([H:32]):[C:16]([H:33]):[C:17]([H:34]):[C:18]:2[C:20]1([O:1][H:23])[H:35]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
235691 benzopyrene 4,5-oxide + H2O = (-)benzopyrene 4,5-dihydrodiol False Mus musculus nan 3.3.2.10

Derived Partial Reactions

EVODEX.1-P4554

[C:2]1([H:25]):[C:3]([H:26]):[C:4]([H:27]):[C:5]2:[C:6](:[C:7]:1[H:28]):[C:8]([H:29]):[C:9]1:[C:10]3:[C:11]:2:[C:12]([H:30]):[C:13]([H:31]):[C:14]2:[C:15]([H:32]):[C:16]([H:33]):[C:17]([H:34]):[C:18](:[C:19]:3:2)[C:20]2([H:35])[O:21][C:22]12[H:36]>>[H]O[C:20]1([H:35])[C:18]2:[C:17]([H:34]):[C:16]([H:33]):[C:15]([H:32]):[C:14]3:[C:13]([H:31]):[C:12]([H:30]):[C:11]4:[C:5]5:[C:4]([H:27]):[C:3]([H:26]):[C:2]([H:25]):[C:7]([H:28]):[C:6]:5:[C:8]([H:29]):[C:9](:[C:10]:4:[C:19]:3:2)[C:22]1([O:21][H])[H:36]

[C:2]1([H:25]):[C:3]([H:26]):[C:4]([H:27]):[C:5]2:[C:6](:[C:7]:1[H:28]):[C:8]([H:29]):[C:9]1:[C:10]3:[C:11]:2:[C:12]([H:30]):[C:13]([H:31]):[C:14]2:[C:15]([H:32]):[C:16]([H:33]):[C:17]([H:34]):[C:18](:[C:19]:3:2)[C:20]2([H:35])[O:21][C:22]12[H:36]>>[H]O[C:20]1([H:35])[C:18]2:[C:17]([H:34]):[C:16]([H:33]):[C:15]([H:32]):[C:14]3:[C:13]([H:31]):[C:12]([H:30]):[C:11]4:[C:5]5:[C:4]([H:27]):[C:3]([H:26]):[C:2]([H:25]):[C:7]([H:28]):[C:6]:5:[C:8]([H:29]):[C:9](:[C:10]:4:[C:19]:3:2)[C:22]1([O:21][H])[H:36]