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EVODEX.1-R4924

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
199603 1-phenyl-1-(trifluoromethyl)prop-2-yn-1-yl acetate + H2O = 1-phenyl-1-(trifluoromethyl)prop-2-yn-1-ol + acetate False Bacillus subtilis nan 3.1.1.6

Derived Partial Reactions

EVODEX.1-P4080

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

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