Acetate → Acrylic Acid

HRID 1535605Notes

Reaction equation

HRID 1535605 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][c:9]2[n:10][n:11][n:12]([C:14]([CH3:15])([CH3:16])[CH3:17])[n:13]2)[cH:6][cH:7]1.[C:18]([CH:19]=[CH2:20])(=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[O-:40][C:41]([CH3:42])=[O:43].[O-:44][C:45]([CH3:46])=[O:47].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[Pd+2:39]>>[C:18]([CH:19]=[CH2:20])(=[O:21])[OH:22].[c:2]1([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:3][cH:4][c:5]([CH2:8][c:9]2[n:10][n:11][n:12]([C:14]([CH3:15])([CH3:16])[CH3:17])[n:13]2)[cH:6][cH:7]1

Participants

8

Reactant 6

HCID 175Acetate2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 15458tert-Butyl acrylateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 148887015-[(4-Bromophenyl)methyl]-2-(1,1-dimethylethyl)-2H-tetrazole

Product 2

HCID 6581Acrylic AcidHCID 224172762-Tert-butyl-5-[(4-tert-butylphenyl)methyl]tetrazole

Sources & evidence

ORD record
ord-37dd4d2a60014f21a333b13bd9edafea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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