Acetone → 4-(4'-Fluoro-4-biphenylyl)-4-hydroxy-butyric acid

HRID 2327103Notes

Reaction equation

HRID 2327103 reaction equation
[Ba+2:42].[CH3:33][C:34](=[O:35])[CH3:36].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]([CH2:15][CH2:16][C:17](=[O:18])[OH:19])=[O:20])[cH:12][cH:13]2)[cH:6][cH:7]1.[H:23][H:24].[NH2:25][CH:26]1[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]1.[Na+:22].[OH-:21].[OH2:32].[Pd+2:43].[S:37]([O-:38])([O-:39])(=[O:40])=[O:41].[S:44]([O-:45])([O-:46])(=[O:47])=[O:48]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH:14]([CH2:15][CH2:16][C:17](=[O:18])[OH:19])[OH:20])[cH:12][cH:13]2)[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 180AcetoneHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1117Sulfate Ion2×HCID 7965CyclohexylamineHCID 104810Barium ionHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 107308704-(4'-Fluoro-4-biphenylyl)-4-oxo-butyric acidHCID 178418361HCID 178418361, compound

Product 1

HCID 214379434-(4'-Fluoro-4-biphenylyl)-4-hydroxy-butyric acid

Sources & evidence

ORD record
ord-bbe1c930549d4467a550683b490be123
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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