Acetate → 2-Acetyl-5-(3-fluoro-phenyl)-cyclohexane-1,3-dione

HRID 117277Notes

Reaction equation

HRID 117277 reaction equation
[C:21]([CH:22]1[C:23](=[O:24])[CH2:25][CH:26]([c:27]2[cH:28][cH:29][c:30]([F:31])[cH:32][cH:33]2)[CH2:34][C:35]1=[O:36])(=[O:37])[CH3:38].[CH3:17][C:18]([O-:19])=[O:20].[F:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][C:10](=[O:15])[CH2:11][C:12](=[O:14])[CH2:13]2)[cH:5][cH:6][cH:7]1.[Na+:16]>>[F:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][C:10](=[O:15])[CH:11]([C:18]([CH3:17])=[O:19])[C:12](=[O:14])[CH2:13]2)[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 175AcetateHCID 923Sodium ionHCID 215517195-(3-Fluorophenyl)cyclohexane-1,3-dioneHCID 529508832-Acetyl-5-(4-fluoro-phenyl)cyclohexane-1,3-dione

Product 1

HCID 582693722-Acetyl-5-(3-fluoro-phenyl)-cyclohexane-1,3-dione

Sources & evidence

ORD record
ord-ad41ba82efc84b66b36b02e391ac1b4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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