Hydrochloric Acid → HCID 59496724, compound

HRID 165174Notes

Reaction equation

HRID 165174 reaction equation
[CH3:13][N:14]1[CH2:15][CH2:16][N:17]([c:20]2[n:21][c:22]([NH2:36])[n:23][c:24](-[c:26]3[cH:27][cH:28][c:29]4[c:34]([cH:35]3)[CH2:33][NH:32][CH2:31][CH2:30]4)[cH:25]2)[CH2:18][CH2:19]1.[CH3:1][NH:2][CH:3]1[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1.[Cl:9][C:10]([Cl:11])=[O:12].[ClH:37]>>[CH3:1][N:2]([CH:3]1[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1)[C:10](=[O:12])[N:32]1[CH2:31][CH2:30][c:29]2[cH:28][cH:27][c:26](-[c:24]3[n:23][c:22]([NH2:36])[n:21][c:20]([N:17]4[CH2:16][CH2:15][N:14]([CH3:13])[CH2:19][CH2:18]4)[cH:25]3)[cH:35][c:34]2[CH2:33]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6371PhosgeneHCID 7514N-MethylcyclohexylamineHCID 497794384-(4-Methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine

Product 1

HCID 59496724HCID 59496724, compound

Sources & evidence

ORD record
ord-fdcf584ebb9347dd98d056317d15afe3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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