Acetate → 2-(2,4-Difluorophenyl)-8-methyl-3-(2-methylsulfanylpyrimidin-4-yl)-imidazo[1,2-a]pyrazine

HRID 1145500Notes

Reaction equation

HRID 1145500 reaction equation
[C:47]([O-:48])(=[O:49])[CH3:50].[C:59]([O-:60])(=[O:61])[CH3:62].[C:64]([O-:65])(=[O:66])[CH3:67].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[CH3:68][OH:69].[Cs+:51].[F:20][c:21]1[c:22](-[c:28]2[n:29][c:30]3[n:31]([cH:32][cH:33][n:34][c:35]3[CH3:36])[cH:37]2)[cH:23][cH:24][c:25]([F:27])[cH:26]1.[I:38][c:39]1[n:40][c:41]([S:45][CH3:46])[n:42][cH:43][cH:44]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:52].[Pd+2:63].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[F:20][c:21]1[c:22](-[c:28]2[n:29][c:30]3[n:31]([cH:32][cH:33][n:34][c:35]3[CH3:36])[c:37]2-[c:39]2[n:40][c:41]([S:45][CH3:46])[n:42][cH:43][cH:44]2)[cH:23][cH:24][c:25]([F:27])[cH:26]1

Participants

11

Reactant 10

HCID 175Acetate3×HCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 104967Cesium cationHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 38589014-Iodo-2-(methylthio)pyrimidineHCID 574387722-(2,4-Difluorophenyl)-8-methylimidazo[1,2-a]pyrazine

Product 1

HCID 574387732-(2,4-Difluorophenyl)-8-methyl-3-(2-methylsulfanylpyrimidin-4-yl)-imidazo[1,2-a]pyrazine

Sources & evidence

ORD record
ord-e74a6338d61c416ca43ff8640af1bf00
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…