Acetonitrile → 3-(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}propanenitrile

HRID 1122271Notes

Reaction equation

HRID 1122271 reaction equation
[C:31]([CH:32]=[CH2:33])#[N:34].[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[n:9][c:10]([NH2:30])[n:11][c:12]([N:14]3[CH2:15][c:16]4[cH:17][c:18](-[c:25]5[n:26][nH:27][cH:28][cH:29]5)[cH:19][cH:20][c:21]4[CH2:22][CH:23]3[CH3:24])[cH:13]2)[CH2:6][CH2:7]1.[CH3:46][C:47]#[N:48].[N:35]12[CH2:36][CH2:37][CH2:38][N:39]=[C:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[n:9][c:10]([NH2:30])[n:11][c:12]([N:14]3[CH2:15][c:16]4[cH:17][c:18](-[c:25]5[n:26][n:27]([CH2:33][CH2:32][C:31]#[N:34])[cH:28][cH:29]5)[cH:19][cH:20][c:21]4[CH2:22][CH:23]3[CH3:24])[cH:13]2)[CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 7855AcrylonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 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 594023703-(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}propanenitrile

Sources & evidence

ORD record
ord-07e8935c3afb43128ce9d9b6b2f08d0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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