Hydrochloric Acid → 7-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(1-methylcyclohexyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide

HRID 1125017Notes

Reaction equation

HRID 1125017 reaction equation
[CH3:14][N:15]1[CH2:16][CH2:17][N:18]([c:21]2[n:22][c:23]([NH2:37])[n:24][c:25](-[c:27]3[cH:28][cH:29][c:30]4[c:35]([cH:36]3)[CH2:34][NH:33][CH2:32][CH2:31]4)[cH:26]2)[CH2:19][CH2:20]1.[CH3:2][C:3]1([NH2:9])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1.[Cl:10][C:11]([Cl:12])=[O:13].[ClH:1].[ClH:38]>>[CH3:2][C:3]1([NH:9][C:11](=[O:13])[N:33]2[CH2:32][CH2:31][c:30]3[cH:29][cH:28][c:27](-[c:25]4[n:24][c:23]([NH2:37])[n:22][c:21]([N:18]5[CH2:17][CH2:16][N:15]([CH3:14])[CH2:20][CH2:19]5)[cH:26]4)[cH:36][c:35]3[CH2:34]2)[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1

Participants

5

Reactant 4

HCID 313Hydrochloric Acid2×HCID 6371PhosgeneHCID 30215781-Amino-1-methylcyclohexaneHCID 497794384-(4-Methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine

Product 1

HCID 594967377-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(1-methylcyclohexyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide

Sources & evidence

ORD record
ord-b1eb34c7ba8e4f5293d28582ba67ed8a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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