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

HRID 1128175Notes

Reaction equation

HRID 1128175 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[Cs+:34].[Cs+:35].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([cH:12][cH:13][n:14][c:15]3[O:16][CH:17]([CH3:18])[CH3:19])[cH:20]2)[cH:6][cH:7]1.[I:21][c:22]1[n:23][c:24]([S:28][CH3:29])[n:25][cH:26][cH:27]1.[O-:61][C:62]([CH3:63])=[O:64].[O-:65][C:66]([CH3:67])=[O:68].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[Pd+2:60].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([cH:12][cH:13][n:14][c:15]3[O:16][CH:17]([CH3:18])[CH3:19])[c:20]2-[c:22]2[n:23][c:24]([S:28][CH3:29])[n:25][cH:26][cH:27]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 6228DimethylformamideHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 38589014-Iodo-2-(methylthio)pyrimidineHCID 57438775HCID 57438775, compound

Product 1

HCID 574387762-(4-Fluorophenyl)-8-isopropoxy-3-(2-methylsulfanylpyrimidin-4-yl)-imidazo[1,2-a]pyrazine

Sources & evidence

ORD record
ord-5182f313dac54af094ff42b16800eae2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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