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EVODEX.1-R6045

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
249356 4-chlorobenzaldehyde + cyclopentanone = (2S)-2-[(R)-(4-chlorophenyl)(hydroxy)methyl]cyclopentan-1-one False Sus scrofa nan 3.4.23.1

Derived Partial Reactions

EVODEX.1-P5285

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

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