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

HRID 1208655Notes

Reaction equation

HRID 1208655 reaction equation
[Br:27][c:28]1[cH:29][n:30][c:31]([CH3:34])[n:32][cH:33]1.[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][c:16]([B:18]3[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]3)[cH:17]2)[n:6][cH:7]1.[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH:35]([NH:36][CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[O-:49][C:50]([CH3:51])=[O:52].[O-:53][C:54]([CH3:55])=[O:56].[OH2:47].[Pd+2:48]>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][c:16](-[c:28]3[cH:29][n:30][c:31]([CH3:34])[n:32][cH:33]3)[cH:17]2)[n:6][cH:7]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 962WaterHCID 6228DimethylformamideHCID 7912DiisopropylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 143877445-Bromo-2-methylpyrimidineHCID 59432564Methyl 3-(5-methylpyridin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Product 1

HCID 68496541Methyl 3-(5-methylpyridin-2-yl)-5-(2-methylpyrimidin-5-yl)benzoate

Sources & evidence

ORD record
ord-2df7fccf483f4a6caf28e04f162d9ea7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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