2-Aminopyrimidine-5-boronic acid, pinacol ester → 1-[4-[[2-(2-Aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxyethanone

HRID 1236357Notes

Reaction equation

HRID 1236357 reaction equation
[CH3:34][C:35]1([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40][B:41]([c:42]2[cH:43][n:44][c:45]([NH2:46])[n:47][cH:48]2)[O:49]1.[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])[CH2:21][O:22][CH:23]4[CH2:24][CH2:25][CH2:26][CH2:27][O:28]4)[CH2:29][CH2:30]3)[cH:31][c:32]2[n:33]1.[NH2:50][c:51]1[n:52][cH:53][c:54](-[c:57]2[n:58][c:59]([N:83]3[CH2:84][CH2:85][O:86][CH2:87][CH2:88]3)[c:60]3[c:61]([n:62]2)[cH:63][c:64]([CH2:66][N:67]2[CH2:68][CH2:69][N:70]([C:73]([CH2:74][O:75][CH:76]4[CH2:77][CH2:78][CH2:79][CH2:80][O:81]4)=[O:82])[CH2:71][CH2:72]2)[s:65]3)[cH:55][n:56]1>>[NH2:50][c:51]1[n:52][cH:53][c:54](-[c:57]2[n:58][c:59]([N:83]3[CH2:84][CH2:85][O:86][CH2:87][CH2:88]3)[c:60]3[c:61]([n:62]2)[cH:63][c:64]([CH2:66][N:67]2[CH2:68][CH2:69][N:70]([C:73]([CH2:74][OH:75])=[O:82])[CH2:71][CH2:72]2)[s:65]3)[cH:55][n:56]1

Participants

4

Reactant 3

HCID 177502122-Aminopyrimidine-5-boronic acid, pinacol esterHCID 669338271-[4-[[2-(2-Aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-(oxan-2-yloxy)ethanoneHCID 866235231-(4-((2-chloro-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(tetrahydro-2H-pyran-2-yloxy)ethanone

Product 1

HCID 582339631-[4-[[2-(2-Aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxyethanone

Sources & evidence

ORD record
ord-4fea4ab6fa6246f794c6780c238af55b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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