2-Methoxypyrimidine-5-boronic acid → 4-(2-(2-methoxypyrimidin-5-yl)-9-methyl-8-((4-(methylsulfonyl)piperazin-1-yl)methyl)-9H-purin-6-yl)morpholine

반응식

[CH3:29][O:30][c:31]1[n:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][n:36]1.[Cl:1][c:2]1[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:5]2[n:6][c:7]([CH2:12][N:13]3[CH2:14][CH2:15][N:16]([S:19](=[O:20])(=[O:21])[CH3:22])[CH2:17][CH2:18]3)[n:8]([CH3:11])[c:9]2[n:10]1>>[c:2]1(-[c:34]2[cH:33][n:32][c:31]([O:30][CH3:29])[n:36][cH:35]2)[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:5]2[n:6][c:7]([CH2:12][N:13]3[CH2:14][CH2:15][N:16]([S:19](=[O:20])(=[O:21])[CH3:22])[CH2:17][CH2:18]3)[n:8]([CH3:11])[c:9]2[n:10]1

참가 물질

반응물 2

HCID 27367782-Methoxypyrimidine-5-boronic acid

HCID 866372424-(2-Chloro-9-methyl-8-((4-(methylsulfonyl)piperazin-1-yl)methyl)-9H-purin-6-yl)morpholine

생성물 1

HCID 445438754-(2-(2-methoxypyrimidin-5-yl)-9-methyl-8-((4-(methylsulfonyl)piperazin-1-yl)methyl)-9H-purin-6-yl)morpholine

출처 및 근거

ORD 기록: ord-85073aaafe5842f1835a703f4ada71ab
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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