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EVODEX.1-R6778

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
280099 3-methyl-benzaldehyde + acetaldehyde = (S)-2-hydroxy-1-m-tolyl-propan-1-one False Pseudomonas putida nan 4.1.1.7

Derived Partial Reactions

EVODEX.1-P6171

[H][C:10]([C:9]1:[C:8]([H:19]):[C:7]([H:18]):[C:6]([H:17]):[C:5]([C:4]([H:22])([H:23])[H:24]):[C:12]:1[H:21])=[O:11]>>[H]O[C@@]([H])(C([H])([H])[H])[C:10]([C:9]1:[C:8]([H:19]):[C:7]([H:18]):[C:6]([H:17]):[C:5]([C:4]([H:22])([H:23])[H:24]):[C:12]:1[H:21])=[O:11]

[H][C:10]([C:9]1:[C:8]([H:19]):[C:7]([H:18]):[C:6]([H:17]):[C:5]([C:4]([H:22])([H:23])[H:24]):[C:12]:1[H:21])=[O:11]>>[H]O[C@@]([H])(C([H])([H])[H])[C:10]([C:9]1:[C:8]([H:19]):[C:7]([H:18]):[C:6]([H:17]):[C:5]([C:4]([H:22])([H:23])[H:24]):[C:12]:1[H:21])=[O:11]