Trifluoroacetic acid → 3-(3-Cyano-phenyl)-3-oxo-propionic acid

HRID 97013Notes

Reaction equation

HRID 97013 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:6](=[O:7])[Cl:8])[cH:9][cH:10][cH:11]1.[C:39]([O:40][C:41]([CH3:42])=[CH2:43])(=[O:44])[CH3:45].[CH3:12][Si:13]([C:16]([Si:14]([CH3:15])([CH3:20])[CH3:21])([C:17](=[O:18])[O-:19])[C:22]([O-:23])=[O:24])([CH3:25])[CH3:26].[CH3:27][CH2:28][CH2:29][CH2:30][Li:31].[F:32][C:33]([F:34])([F:35])[C:36]([OH:37])=[O:38]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:6](=[O:7])[CH2:16][C:17](=[O:18])[OH:19])[cH:9][cH:10][cH:11]1

Participants

6

Reactant 5

HCID 6422Trifluoroacetic acidHCID 7916Isopropenyl acetateHCID 3084833-Cyanobenzoyl chlorideHCID 222245802,2-Bis(trimethylsilyl)propanedioateHCID 178418339Butyllithium

Product 1

HCID 222245603-(3-Cyano-phenyl)-3-oxo-propionic acid

Sources & evidence

ORD record
ord-ecf0ba812af34309bedd489ac037bae1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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