4-Acetamidophenylboronic acid → N-(4-(9-methyl-8-((4-(methylsulfonyl)piperazin-1-yl)methyl)-6-morpholino-9H-purin-2-yl)phenyl)acetamide

반응식

[C:29]([CH3:30])(=[O:31])[NH:32][c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]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:36]2[cH:35][cH:34][c:33]([NH:32][C:29]([CH3:30])=[O:31])[cH:38][cH:37]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 27346574-Acetamidophenylboronic acid

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

생성물 1

HCID 44543872N-(4-(9-methyl-8-((4-(methylsulfonyl)piperazin-1-yl)methyl)-6-morpholino-9H-purin-2-yl)phenyl)acetamide

출처 및 근거

ORD 기록: ord-83a0ad6da9fb4f1681052b9402a2cae7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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