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

HRID 693747Notes

Reaction equation

HRID 693747 reaction equation
[C:53]([O:54][C:55]([N:56]1[CH2:57][CH2:58][N:59]([CH2:60][CH2:61][CH2:62][NH2:63])[CH:64]([CH3:65])[CH2:66]1)=[O:67])([CH3:68])([CH3:69])[CH3:70].[CH3:1][NH:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][cH:8][c:9]2[s:10][c:11](-[c:14]3[n:15][c:16]([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:17][cH:18][c:19]3[Cl:20])[cH:12][c:13]12.[CH3:32][NH:33][C:34]([c:35]1[c:36]2[cH:37][c:38](-[c:39]3[c:40]([CH3:41])[cH:42][n:43][c:44]([Cl:45])[n:46]3)[s:47][c:48]2[cH:49][cH:50][cH:51]1)=[O:52]>>[CH3:1][NH:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][cH:8][c:9]2[s:10][c:11](-[c:14]3[n:15][c:16]([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:17][cH:18][c:19]3[CH3:32])[cH:12][c:13]12

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 866253842-(2-Chloro-5-methylpyrimidin-4-yl)-benzo[b]thiophene-4-carboxylic acid methylamide

Product 1

HCID 68858138N-methyl-2-[5-methyl-2-[3-(2-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-1-benzothiophene-4-carboxamide

Sources & evidence

ORD record
ord-16713c0397454f989f820d03604210d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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