Hydrochloric Acid → 4-{2-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl}-N,N-dimethylpiperidine-1-carboxamide

HRID 1219410Notes

Reaction equation

HRID 1219410 reaction equation
[CH3:45][N:46]([C:47](=[O:48])[Cl:49])[CH3:50].[CH3:51][C:52]#[N:53].[CH3:54][OH:55].[CH3:5][N:6]1[CH2:7][CH2:8][N:9]([c:12]2[n:13][c:14]([NH2:35])[n:15][c:16]([N:18]3[CH2:19][c:20]4[cH:21][c:22]([CH:29]5[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]5)[cH:23][cH:24][c:25]4[CH2:26][CH:27]3[CH3:28])[cH:17]2)[CH2:10][CH2:11]1.[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[ClH:1].[ClH:2].[ClH:3].[ClH:4]>>[CH3:5][N:6]1[CH2:7][CH2:8][N:9]([c:12]2[n:13][c:14]([NH2:35])[n:15][c:16]([N:18]3[CH2:19][c:20]4[cH:21][c:22]([CH:29]5[CH2:30][CH2:31][N:32]([C:47]([N:46]([CH3:45])[CH3:50])=[O:48])[CH2:33][CH2:34]5)[cH:23][cH:24][c:25]4[CH2:26][CH:27]3[CH3:28])[cH:17]2)[CH2:10][CH2:11]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid4×HCID 887MethanolHCID 6342AcetonitrileHCID 6598Dimethylcarbamoyl ChlorideHCID 81531DiisopropylethylamineHCID 59402258HCID 59402258, compound

Product 1

HCID 594022494-{2-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl}-N,N-dimethylpiperidine-1-carboxamide

Sources & evidence

ORD record
ord-d20603f5c03d4319a75e1eca0b75ed65
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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