Ammonia → 5-{2-[7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}nicotinonitrile

HRID 112943Notes

Reaction equation

HRID 112943 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH2:8][C:9](=[O:10])[N:11]2[CH2:12][c:13]3[cH:14][c:15](-[c:21]4[n:22][c:23]([NH2:34])[n:24][c:25]([N:27]5[CH2:28][CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]5)[cH:26]4)[cH:16][cH:17][c:18]3[CH2:19][CH2:20]2)[cH:5][n:6][cH:7]1.[C-:43]#[N:44].[C-:46]#[N:47].[CH3:35][N:36]1[CH2:37][CH2:38][CH2:39][C:40]1=[O:41].[NH3:42].[Zn+2:45].[Zn:48]>>[c:2]1([C:35]#[N:36])[cH:3][c:4]([CH2:8][C:9](=[O:10])[N:11]2[CH2:12][c:13]3[cH:14][c:15](-[c:21]4[n:22][c:23]([NH2:34])[n:24][c:25]([N:27]5[CH2:28][CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]5)[cH:26]4)[cH:16][cH:17][c:18]3[CH2:19][CH2:20]2)[cH:5][n:6][cH:7]1

Participants

7

Reactant 6

HCID 222AmmoniaHCID 5975Cyanide2×HCID 13387N-methyl-2-pyrrolidoneHCID 23994ZincHCID 32051Zinc(2+)HCID 594965344-[2-[(5-Bromopyridin-3-yl)acetyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

Product 1

HCID 594967275-{2-[7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}nicotinonitrile

Sources & evidence

ORD record
ord-eea2fab6dfce460988daf574487545fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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