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

HRID 663484Notes

Reaction equation

HRID 663484 reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[Cs+:31].[Cs+:32].[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[CH3:16])[cH:17]2)[cH:6][cH:7]1.[I:18][c:19]1[n:20][c:21]([S:25][CH3:26])[n:22][cH:23][cH:24]1.[O-:54][C:55]([CH3:56])=[O:57].[O-:58][C:59]([CH3:60])=[O:61].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:52].[Pd+2:53].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]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[CH3:16])[c:17]2-[c:19]2[n:20][c:21]([S:25][CH3:26])[n:22][cH:23][cH:24]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 962WaterHCID 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 574387492-(4-Fluorophenyl)-8-methylimidazo[1,2-a]pyrazine

Product 1

HCID 574387482-(4-Fluorophenyl)-8-methyl-3-(2-methylsulfanylpyrimidin-4-yl)-imidazo[1,2-a]pyrazine

Sources & evidence

ORD record
ord-12eb82112d3f4d469f421b2d362daab6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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