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

HRID 1219989Notes

Reaction equation

HRID 1219989 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH:1]1([CH2:4][c:5]2[c:6]3[n:7]([cH:8][cH:9][n:10]2)[cH:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]2)[n:13]3)[CH2:2][CH2:3]1.[Cs+:34].[Cs+:35].[I:21][c:22]1[n:23][c:24]([S:28][CH3:29])[n:25][cH:26][cH:27]1.[O-:56][C:57]([CH3:58])=[O:59].[O-:60][C:61]([CH3:62])=[O:63].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[Pd+2:55].[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>>[CH:1]1([CH2:4][c:5]2[c:6]3[n:7]([cH:8][cH:9][n:10]2)[c:11](-[c:22]2[n:23][c:24]([S:28][CH3:29])[n:25][cH:26][cH:27]2)[c:12](-[c:14]2[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]2)[n:13]3)[CH2:2][CH2:3]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 574387698-Cyclopropylmethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyrazine

Product 1

HCID 588695358-Cyclopropylmethyl-2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine

Sources & evidence

ORD record
ord-502ef90c66c34b1fabadef86087959c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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