Methanol → 4-{2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl}-N-cyclopentyl-3,6-dihydropyridine-1(2H)-carboxamide

HRID 308208Notes

Reaction equation

HRID 308208 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[n:9][c:10]([NH2:31])[n:11][c:12]([N:14]3[CH2:15][c:16]4[cH:17][c:18]([C:25]5=[CH:30][CH2:29][NH:28][CH2:27][CH2:26]5)[cH:19][cH:20][c:21]4[CH2:22][CH:23]3[CH3:24])[cH:13]2)[CH2:6][CH2:7]1.[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH3:54][OH:55].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[N:41](=[C:42]=[O:43])[CH:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[n:9][c:10]([NH2:31])[n:11][c:12]([N:14]3[CH2:15][c:16]4[cH:17][c:18]([C:25]5=[CH:30][CH2:29][N:28]([C:42]([NH:41][CH:44]6[CH2:45][CH2:46][CH2:47][CH2:48]6)=[O:43])[CH2:27][CH2:26]5)[cH:19][cH:20][c:21]4[CH2:22][CH:23]3[CH3:24])[cH:13]2)[CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 887MethanolHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 643500Cyclopentyl IsocyanateHCID 59402262HCID 59402262, compound

Product 1

HCID 594022904-{2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl}-N-cyclopentyl-3,6-dihydropyridine-1(2H)-carboxamide

Sources & evidence

ORD record
ord-0db4f42079a84285a88cd457147b5602
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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