Acetate → 4-Methyl-6-(4-(1-(5-methylpyrazin-2-yl)piperidin-4-yl)piperidin-1-yl)pyrimidine-2-carbonitrile

HRID 206685Notes

Reaction equation

HRID 206685 reaction equation
[CH3:28][N:29]([CH3:30])[CH2:31][CH2:32][N:33]([CH3:34])[CH3:35].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Cl:1][c:2]1[n:3][c:4]([CH3:27])[cH:5][c:6]([N:8]2[CH2:9][CH2:10][CH:11]([CH:14]3[CH2:15][CH2:16][N:17]([c:20]4[n:21][cH:22][c:23]([CH3:26])[n:24][cH:25]4)[CH2:18][CH2:19]3)[CH2:12][CH2:13]2)[n:7]1.[K:36][C:37]#[N:38].[O-:40][C:41]([CH3:42])=[O:43].[O-:44][C:45]([CH3:46])=[O:47].[Pd+2:39]>>[c:2]1([C:28]#[N:29])[n:3][c:4]([CH3:27])[cH:5][c:6]([N:8]2[CH2:9][CH2:10][CH:11]([CH:14]3[CH2:15][CH2:16][N:17]([c:20]4[n:21][cH:22][c:23]([CH3:26])[n:24][cH:25]4)[CH2:18][CH2:19]3)[CH2:12][CH2:13]2)[n:7]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 1140TolueneHCID 8037N,N,N',N'-TetramethylethylenediamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 591789101-(2-Chloro-6-methylpyrimidin-4-yl)-1'-(5-methylpyrazin-2-yl)-4,4'-bipiperidineHCID 178511842HCID 178511842, compound

Product 1

HCID 545867804-Methyl-6-(4-(1-(5-methylpyrazin-2-yl)piperidin-4-yl)piperidin-1-yl)pyrimidine-2-carbonitrile

Sources & evidence

ORD record
ord-c4f225489e754d949b5e09b7744e3c08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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