Hydrochloric Acid → Hydrochloric Acid

HRID 88160Notes

Reaction equation

HRID 88160 reaction equation
[CH3:39][OH:40].[ClH:1].[NH2:2][c:3]1[n:4][c:5]([N:26]2[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]2)[cH:6][c:7](-[c:9]2[cH:10][cH:11][c:12]3[c:17]([cH:18]2)[CH2:16][N:15]([C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH2:14][CH2:13]3)[n:8]1.[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1>>[ClH:1].[NH2:2][c:3]1[n:4][c:5]([N:26]2[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]2)[cH:6][c:7](-[c:9]2[cH:10][cH:11][c:12]3[c:17]([cH:18]2)[CH2:16][NH:15][CH2:14][CH2:13]3)[n:8]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 312751,4-DioxaneHCID 59496680tert-butyl 7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydroisoquinoline-2(1H)-carboxylate

Product 2

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

Sources & evidence

ORD record
ord-4302095bb4a44d318bc487aea41b6933
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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