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EVODEX.1-R6048

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][C:3]1([H:19])[C:2](=[O:1])[C:7]([H:27])([H:28])[C:6]([H:25])([H:26])[C:5]([H:23])([H:24])[C:4]1([H:21])[H:22].[O:8]=[C:9]([C:10]1:[C:11]([H:29]):[C:12]([H:30]):[C:13]([N+:14](=[O:15])[O-:16]):[C:17]([H:31]):[C:18]:1[H:32])[H:33]>>[H][O:8][C@:9]([C@@:3]1([H:19])[C:2](=[O:1])[C:7]([H:27])([H:28])[C:6]([H:25])([H:26])[C:5]([H:23])([H:24])[C:4]1([H:21])[H:22])([C:10]1:[C:11]([H:29]):[C:12]([H:30]):[C:13]([N+:14](=[O:15])[O-:16]):[C:17]([H:31]):[C:18]:1[H:32])[H:33]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
249364 4-nitrobenzaldehyde + cyclohexanone = (2S)-2-[(R)-hydroxy(4-nitrophenyl)methyl]cyclohexan-1-one False Sus scrofa nan 3.4.23.1

Derived Partial Reactions

EVODEX.1-P5289

[H][C:3]1([H:19])[C:2](=[O:1])[C:7]([H:27])([H:28])[C:6]([H:25])([H:26])[C:5]([H:23])([H:24])[C:4]1([H:21])[H:22].[O:8]=[C:9]([C:10]1:[C:11]([H:29]):[C:12]([H:30]):[C:13]([N+:14](=[O:15])[O-:16]):[C:17]([H:31]):[C:18]:1[H:32])[H:33]>>[H][O:8][C@:9]([C@@:3]1([H:19])[C:2](=[O:1])[C:7]([H:27])([H:28])[C:6]([H:25])([H:26])[C:5]([H:23])([H:24])[C:4]1([H:21])[H:22])([C:10]1:[C:11]([H:29]):[C:12]([H:30]):[C:13]([N+:14](=[O:15])[O-:16]):[C:17]([H:31]):[C:18]:1[H:32])[H:33]

[H][C:3]1([H:19])[C:2](=[O:1])[C:7]([H:27])([H:28])[C:6]([H:25])([H:26])[C:5]([H:23])([H:24])[C:4]1([H:21])[H:22].[O:8]=[C:9]([C:10]1:[C:11]([H:29]):[C:12]([H:30]):[C:13]([N+:14](=[O:15])[O-:16]):[C:17]([H:31]):[C:18]:1[H:32])[H:33]>>[H][O:8][C@:9]([C@@:3]1([H:19])[C:2](=[O:1])[C:7]([H:27])([H:28])[C:6]([H:25])([H:26])[C:5]([H:23])([H:24])[C:4]1([H:21])[H:22])([C:10]1:[C:11]([H:29]):[C:12]([H:30]):[C:13]([N+:14](=[O:15])[O-:16]):[C:17]([H:31]):[C:18]:1[H:32])[H:33]