Acetate → Methyl 3-(2-methoxypyrimidin-5-yl)prop-2-enoate

HRID 1142738Notes

Reaction equation

HRID 1142738 reaction equation
[C:10](=[O:11])([O-:12])[O-:13].[C:16]([CH:17]=[CH2:18])(=[O:19])[O:20][CH3:21].[C:46]([O-:47])(=[O:48])[CH3:49].[C:51]([O-:52])(=[O:53])[CH3:54].[CH3:1][O:2][c:3]1[n:4][cH:5][c:6]([I:9])[cH:7][n:8]1.[CH3:23][N:24]([CH3:25])[CH:26]=[O:27].[CH3:29][CH2:30][CH2:31][CH2:32][N+:33]([CH2:34][CH2:35][CH2:36][CH3:37])([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH3:45].[Cl-:28].[K+:14].[K+:15].[OH2:22].[Pd+2:50]>>[CH3:1][O:2][c:3]1[n:4][cH:5][c:6]([CH:18]=[CH:17][C:16](=[O:19])[O:20][CH3:21])[cH:7][n:8]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 312ChlorideHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 7294Methyl AcrylateHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 105139445-Iodo-2-methoxypyrimidine

Product 1

HCID 54090691Methyl 3-(2-methoxypyrimidin-5-yl)prop-2-enoate

Sources & evidence

ORD record
ord-75105d0cd1544def91ab1a62102b5d3a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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