Acetate → 4-(3-Ethoxy-3-oxo-1-propen-1-yl)benzeneacetic acid

HRID 663786Notes

Reaction equation

HRID 663786 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[OH:11])[cH:6][cH:7]1.[C:12]([CH:13]=[CH2:14])(=[O:15])[O:16][CH2:17][CH3:18].[C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])(=[O:25])[CH:26]=[CH2:27].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[ClH:61].[O-:63][C:64]([CH3:65])=[O:66].[O-:67][C:68]([CH3:69])=[O:70].[Pd+2:62].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[c:2]1([CH:14]=[CH:13][C:12](=[O:15])[O:16][CH2:17][CH3:18])[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[OH:11])[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8821Ethyl AcrylateHCID 11776TriphenylphosphineHCID 15458tert-Butyl acrylateHCID 74654Benzeneacetic acid, 4-bromo-HCID 81531DiisopropylethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)

Product 1

HCID 696934804-(3-Ethoxy-3-oxo-1-propen-1-yl)benzeneacetic acid

Sources & evidence

ORD record
ord-ea0c2cdff0a246c0ae6753b16d19b4d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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