2-(2-Chloro-5-methylpyrimidin-4-yl)-benzo[b]thiophene-4-carboxylic acid cyclopropylamide → 2-{2-[3-(2,6-Dimethylpiperazin-1-yl)-propylamino]-5-methylpyrimidin-4-yl}-benzo[b]thiophene-4-carboxylic acid cyclopropylamide

HRID 2333356Notes

Reaction equation

HRID 2333356 reaction equation
[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][cH:10][c:11]3[s:12][c:13](-[c:16]4[n:17][c:18]([NH:23][CH2:24][CH2:25][CH2:26][N:27]5[CH:28]([CH3:34])[CH2:29][NH:30][CH2:31][CH:32]5[CH3:33])[n:19][cH:20][c:21]4[Cl:22])[cH:14][c:15]23)[CH2:2][CH2:3]1.[CH:35]1([NH:36][C:37]([c:38]2[c:39]3[cH:40][c:41](-[c:42]4[c:43]([CH3:44])[cH:45][n:46][c:47]([Cl:48])[n:49]4)[s:50][c:51]3[cH:52][cH:53][cH:54]2)=[O:55])[CH2:56][CH2:57]1.[CH:58]([N:59]1[CH2:60][CH:61]([CH3:62])[N:63]([CH2:64][CH2:65][CH2:66][NH2:67])[CH:68]([CH3:69])[CH2:70]1)([c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1>>[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][cH:10][c:11]3[s:12][c:13](-[c:16]4[n:17][c:18]([NH:23][CH2:24][CH2:25][CH2:26][N:27]5[CH:28]([CH3:34])[CH2:29][NH:30][CH2:31][CH:32]5[CH3:33])[n:19][cH:20][c:21]4[CH3:35])[cH:14][c:15]23)[CH2:2][CH2:3]1

Participants

4

Reactant 3

HCID 866253772-(2-Chloro-5-methylpyrimidin-4-yl)-benzo[b]thiophene-4-carboxylic acid cyclopropylamideHCID 178430263HCID 178430263, compoundHCID 178430513HCID 178430513, compound

Product 1

HCID 688577732-{2-[3-(2,6-Dimethylpiperazin-1-yl)-propylamino]-5-methylpyrimidin-4-yl}-benzo[b]thiophene-4-carboxylic acid cyclopropylamide

Sources & evidence

ORD record
ord-afc4cd42ef5e483493a2654712382115
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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