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

HRID 116801Notes

Reaction equation

HRID 116801 reaction equation
[CH3:16][N:17]1[CH2:18][CH2:19][N:20]([c:23]2[n:24][c:25]([NH2:39])[n:26][c:27](-[c:29]3[cH:30][cH:31][c:32]4[c:37]([cH:38]3)[CH2:36][NH:35][CH2:34][CH2:33]4)[cH:28]2)[CH2:21][CH2:22]1.[CH:1]1([NH2:11])[CH2:2][CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[Cl:12][C:13]([Cl:14])=[O:15].[ClH:40]>>[CH:1]1([NH:11][C:13](=[O:15])[N:35]2[CH2:34][CH2:33][c:32]3[cH:31][cH:30][c:29](-[c:27]4[n:26][c:25]([NH2:39])[n:24][c:23]([N:20]5[CH2:19][CH2:18][N:17]([CH3:16])[CH2:22][CH2:21]5)[cH:28]4)[cH:38][c:37]3[CH2:36]2)[CH2:2][CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6371PhosgeneHCID 180661,2,3,4-Tetrahydro-1-naphthylamineHCID 497794384-(4-Methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine

Product 1

HCID 497796487-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydroisoquinoline-2(1H)-carboxamide

Sources & evidence

ORD record
ord-81cf263ac4df4b36849938f87e780877
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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