2-[5-chloro-2-[3-(2-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-N-methyl-1-benzothiophene-4-carboxamide → N-cyclopropyl-2-[5-methyl-2-[3-(2-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-1-benzothiophene-4-carboxamide

HRID 1152735Notes

Reaction equation

HRID 1152735 reaction equation
[C:55]([O:56][C:57]([N:58]1[CH2:59][CH2:60][N:61]([CH2:62][CH2:63][CH2:64][NH2:65])[CH:66]([CH3:67])[CH2:68]1)=[O:69])([CH3:70])([CH3:71])[CH3:72].[CH3:1][NH:2][C:3]([c:4]1[c:5]2[cH:6][c:7](-[c:8]3[c:9]([Cl:10])[cH:11][n:12][c:13]([NH:21][CH2:22][CH2:23][CH2:24][N:25]4[CH:26]([CH3:31])[CH2:27][NH:28][CH2:29][CH2:30]4)[n:14]3)[s:15][c:16]2[cH:17][cH:18][cH:19]1)=[O:20].[CH:32]1([NH:35][C:36](=[O:37])[c:38]2[cH:39][cH:40][cH:41][c:42]3[s:43][c:44](-[c:47]4[n:48][c:49]([Cl:54])[n:50][cH:51][c:52]4[CH3:53])[cH:45][c:46]23)[CH2:33][CH2:34]1>>[NH:21]([CH2:22][CH2:23][CH2:24][N:25]1[CH:26]([CH3:31])[CH2:27][NH:28][CH2:29][CH2:30]1)[c:49]1[n:48][c:47](-[c:44]2[s:43][c:42]3[cH:41][cH:40][cH:39][c:38]([C:36]([NH:35][CH:32]4[CH2:33][CH2:34]4)=[O:37])[c:46]3[cH:45]2)[c:52]([CH3:53])[cH:51][n:50]1

Participants

4

Reactant 3

HCID 688561252-[5-chloro-2-[3-(2-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-N-methyl-1-benzothiophene-4-carboxamideHCID 68857412Tert-butyl 4-(3-aminopropyl)-3-methylpiperazine-1-carboxylateHCID 866253772-(2-Chloro-5-methylpyrimidin-4-yl)-benzo[b]thiophene-4-carboxylic acid cyclopropylamide

Product 1

HCID 77549750N-cyclopropyl-2-[5-methyl-2-[3-(2-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-1-benzothiophene-4-carboxamide

Sources & evidence

ORD record
ord-a2997b640e40423cb134c8434f5b44ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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