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

HRID 1566626Notes

Reaction equation

HRID 1566626 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:53]([O-:54])(=[O:55])[CH3:56].[C:57]([O-:58])(=[O:59])[CH3:60].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[ClH:47].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[Pd+2:61].[c:19]1([P:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][cH:36][cH:37]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 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 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-64802be26e4b4149a1574175a1d6dda6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…