Acetate → Methyl 3-isopropenyl-5-(5-methylpyridin-2-yl)benzoate

HRID 1561975Notes

Reaction equation

HRID 1561975 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10](-[c:12]2[n:13][cH:14][c:15]([CH3:18])[cH:16][cH:17]2)[cH:11]1.[C:19](=[CH2:20])([CH3:21])[B:22]1[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]1.[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[CH:31]([NH:32][CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[O-:45][C:46]([CH3:47])=[O:48].[O-:49][C:50]([CH3:51])=[O:52].[OH2:43].[Pd+2:44]>>[c:2]1([C:19](=[CH2:20])[CH3:21])[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10](-[c:12]2[n:13][cH:14][c:15]([CH3:18])[cH:16][cH:17]2)[cH:11]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 962WaterHCID 6228DimethylformamideHCID 7912DiisopropylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 109974264,4,5,5-Tetramethyl-2-(prop-1-en-2-yl)-1,3,2-dioxaborolaneHCID 59599704Methyl 3-bromo-5-(5-methylpyridin-2-yl)benzoate

Product 1

HCID 68500359Methyl 3-isopropenyl-5-(5-methylpyridin-2-yl)benzoate

Sources & evidence

ORD record
ord-348e23f758764b248894d06549cd40a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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