Hydrochloric Acid → 4-[7-[1-(cyclopentylacetyl)piperidin-4-yl]-3-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

HRID 669054Notes

Reaction equation

HRID 669054 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]([CH:25]5[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]5)[cH:19][cH:20][c:21]4[CH2:22][CH:23]3[CH3:24])[cH:13]2)[CH2:6][CH2:7]1.[CH3:51][C:52]#[N:53].[CH3:54][OH:55].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[CH:42]1([CH2:47][C:48](=[O:49])[Cl:50])[CH2:43][CH2:44][CH2:45][CH2:46]1.[ClH:32]>>[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]([CH:25]5[CH2:26][CH2:27][N:28]([C:48]([CH2:47][CH:42]6[CH2:43][CH2:44][CH2:45][CH2:46]6)=[O:49])[CH2:29][CH2:30]5)[cH:19][cH:20][c:21]4[CH2:22][CH:23]3[CH3:24])[cH:13]2)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 3485182Cyclopentylacetyl chlorideHCID 59402258HCID 59402258, compound

Product 1

HCID 594023824-[7-[1-(cyclopentylacetyl)piperidin-4-yl]-3-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

Sources & evidence

ORD record
ord-50dcfe5e692d4431a1a7d73fffad008e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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