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

HRID 312288Notes

Reaction equation

HRID 312288 reaction equation
[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:44][C:45]#[N:46].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]=[C:9]=[O:10])[cH:6][cH:7]1.[ClH:36].[F:11][c:12]1[cH:13][c:14]2[c:19]([cH:20][c:21]1-[c:22]1[n:23][c:24]([NH2:35])[n:25][c:26]([N:28]3[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]3)[cH:27]1)[CH2:18][NH:17][CH2:16][CH2:15]2>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[N:17]2[CH2:16][CH2:15][c:14]3[cH:13][c:12]([F:11])[c:21](-[c:22]4[n:23][c:24]([NH2:35])[n:25][c:26]([N:28]5[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]5)[cH:27]4)[cH:20][c:19]3[CH2:18]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 76934-Chlorophenyl IsocyanateHCID 8471TriethylamineHCID 594966484-(6-Fluoro-1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

Product 1

HCID 594966357-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(4-chlorophenyl)-6-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxamide

Sources & evidence

ORD record
ord-ae8d0a7db43740239d1e41e342d03ef8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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