Hydrochloric Acid → Ethyl 4-({[7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}amino)piperidine-1-carboxylate

HRID 138330Notes

Reaction equation

HRID 138330 reaction equation
[CH3:17][N:18]1[CH2:19][CH2:20][N:21]([c:24]2[n:25][c:26]([NH2:40])[n:27][c:28](-[c:30]3[cH:31][cH:32][c:33]4[c:38]([cH:39]3)[CH2:37][NH:36][CH2:35][CH2:34]4)[cH:29]2)[CH2:22][CH2:23]1.[Cl:13][C:14]([Cl:15])=[O:16].[ClH:41].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[CH2:6][CH2:7]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[CH2:6][CH2:7]1)[C:14](=[O:16])[N:36]1[CH2:35][CH2:34][c:33]2[cH:32][cH:31][c:30](-[c:28]3[n:27][c:26]([NH2:40])[n:25][c:24]([N:21]4[CH2:20][CH2:19][N:18]([CH3:17])[CH2:23][CH2:22]4)[cH:29]3)[cH:39][c:38]2[CH2:37]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6371PhosgeneHCID 100867Ethyl 4-amino-1-piperidinecarboxylateHCID 497794384-(4-Methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine

Product 1

HCID 59496685Ethyl 4-({[7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}amino)piperidine-1-carboxylate

Sources & evidence

ORD record
ord-658d5953082442bb9e82f130308cae2a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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