Hydrochloric Acid → Hydrochloric Acid

HRID 1571832Notes

Reaction equation

HRID 1571832 reaction equation
[CH2:34]1[O:35][CH2:36][CH2:37][O:38][CH2:39]1.[CH3:40][OH:41].[ClH:1].[NH2:2][c:3]1[n:4][c:5]([N:27]2[CH2:28][CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]2)[cH:6][c:7](-[c:9]2[c:10]([F:26])[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>>[ClH:1].[NH2:2][c:3]1[n:4][c:5]([N:27]2[CH2:28][CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]2)[cH:6][c:7](-[c:9]2[c:10]([F:26])[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 59496598tert-butyl 7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-6-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate

Product 2

HCID 313Hydrochloric AcidHCID 594966484-(6-Fluoro-1,2,3,4-tetrahydroisoquinolin-7-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

Sources & evidence

ORD record
ord-d606cc8655ea479982bc8c50af3feb63
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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