Potassium Cation → (3-[2-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazol-1-yl)acetonitrile

HRID 205733Notes

Reaction equation

HRID 205733 reaction equation
[Br:42][CH2:43][C:44]#[N:45].[CH2:7]1[O:8][CH2:9][CH2:10][CH2:11]1.[CH3:12][N:13]1[CH2:14][CH2:15][N:16]([c:19]2[n:20][c:21]([NH2:41])[n:22][c:23]([N:25]3[CH2:26][c:27]4[cH:28][c:29](-[c:36]5[n:37][nH:38][cH:39][cH:40]5)[cH:30][cH:31][c:32]4[CH2:33][CH:34]3[CH3:35])[cH:24]2)[CH2:17][CH2:18]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[K+:6].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[CH3:12][N:13]1[CH2:14][CH2:15][N:16]([c:19]2[n:20][c:21]([NH2:41])[n:22][c:23]([N:25]3[CH2:26][c:27]4[cH:28][c:29](-[c:36]5[n:37][n:38]([CH2:43][C:44]#[N:45])[cH:39][cH:40]5)[cH:30][cH:31][c:32]4[CH2:33][CH:34]3[CH3:35])[cH:24]2)[CH2:17][CH2:18]1

Participants

7

Reactant 6

HCID 813Potassium CationHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 11534BromoacetonitrileHCID 45749132-Methylpropan-2-olateHCID 1784218914-(4-methylpiperazin-1-yl)-6-[3-methyl-7-(1H-pyrazol-3-yl)-3,4-dihydroisoquinolin-2(1H)-yl]pyrimidin-2-amine

Product 1

HCID 46701050(3-[2-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazol-1-yl)acetonitrile

Sources & evidence

ORD record
ord-5879b0f808864eafaf33e92ede20ee70
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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