2-Methanesulfonylacetic acid → 1-(4-((2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone

HRID 665796Notes

Reaction equation

HRID 665796 reaction equation
[CH3:60][S:61](=[O:62])(=[O:63])[CH2:64][C:65](=[O:66])[OH:67].[Cl:1][c:2]1[n:3][c:4]([N:5]2[CH2:6][CH2:7][O:8][CH2:9][CH2:10]2)[c:11]2[s:12][c:13]([CH2:14][N:15]3[CH2:16][CH2:17][N:18]([C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH2:26][CH2:27]3)[cH:28][c:29]2[n:30]1.[O:31]1[CH2:32][CH2:33][N:34]([c:37]2[c:38]3[c:39]([n:40][c:41](-[c:43]4[cH:44][n:45][c:46]([NH2:49])[n:47][cH:48]4)[n:42]2)[cH:50][c:51]([CH2:53][N:54]2[CH2:55][CH2:56][NH:57][CH2:58][CH2:59]2)[s:52]3)[CH2:35][CH2:36]1>>[O:31]1[CH2:32][CH2:33][N:34]([c:37]2[c:38]3[c:39]([n:40][c:41](-[c:43]4[cH:44][n:45][c:46]([NH2:49])[n:47][cH:48]4)[n:42]2)[cH:50][c:51]([CH2:53][N:54]2[CH2:55][CH2:56][N:57]([C:65]([CH2:64][S:61]([CH3:60])(=[O:62])=[O:63])=[O:66])[CH2:58][CH2:59]2)[s:52]3)[CH2:35][CH2:36]1

Participants

4

Reactant 3

HCID 37328412-Methanesulfonylacetic acidHCID 57494058Tert-butyl 4-((2-chloro-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazine-1-carboxylateHCID 582340355-(4-Morpholino-6-((piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine

Product 1

HCID 248127701-(4-((2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone

Sources & evidence

ORD record
ord-73d5577258644c0295bbd60e34796254
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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