Hydrochloric Acid → HCID 59496543, compound

HRID 198678Notes

Reaction equation

HRID 198678 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.[Cl:12][C:13]([Cl:14])=[O:15].[ClH:40].[NH2:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1>>[NH:1]([c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1)[C:13](=[O:15])[N:35]1[CH2:34][CH2:33][c:32]2[cH:31][cH:30][c:29](-[c:27]3[n:26][c:25]([NH2:39])[n:24][c:23]([N:20]4[CH2:19][CH2:18][N:17]([CH3:16])[CH2:22][CH2:21]4)[cH:28]3)[cH:38][c:37]2[CH2:36]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6371PhosgeneHCID 737487Methyl 6-aminonicotinateHCID 497794384-(4-Methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine

Product 1

HCID 59496543HCID 59496543, compound

Sources & evidence

ORD record
ord-047c29518d63478f82e312ac0762f1d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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