Hydrochloric Acid → 2-{5-Chloro-2-[3-(4-methylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-6-carboxylic acid methyl ester

HRID 105596Notes

Reaction equation

HRID 105596 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([s:10][c:11](-[c:13]3[n:14][c:15]([Cl:20])[n:16][cH:17][c:18]3[Cl:19])[cH:12]2)[cH:21]1.[CH:25]1([NH:26][C:27]([c:28]2[c:29]3[cH:30][c:31](-[c:32]4[c:33]([Cl:34])[cH:35][n:36][c:37]([NH:47][CH2:48][CH2:49][CH2:50][N:51]5[CH2:52][CH2:53][N:54]([CH3:57])[CH2:55][CH2:56]5)[n:38]4)[s:39][c:40]3[cH:41][cH:42][cH:43]2)=[O:44])[CH2:45][CH2:46]1.[ClH:22].[ClH:23].[ClH:24]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([s:10][c:11](-[c:13]3[n:14][c:15]([NH:47][CH2:48][CH2:49][CH2:50][N:51]4[CH2:52][CH2:53][N:54]([CH3:57])[CH2:55][CH2:56]4)[n:16][cH:17][c:18]3[Cl:19])[cH:12]2)[cH:21]1

Participants

4

Reactant 3

HCID 313Hydrochloric Acid3×HCID 167207622-(5-chloro-2-((3-(4-methylpiperazin-1-yl)propyl)amino)pyrimidin-4-yl)-N-cyclopropylbenzo[b]thiophene-4-carboxamideHCID 866253662-(2,5-Dichloro-pyrimidin-4-yl)-benzo[b]thiophene-6-carboxylic acid methyl ester

Product 1

HCID 688569182-{5-Chloro-2-[3-(4-methylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-6-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-438c2585441e494583f26284c990a4f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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