2-Methoxypyrimidine-5-boronic acid → 6-(2-Methoxypyrimidin-5-yl)-2-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]-1,3-benzothiazole

반응식

[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([CH:9]3[CH2:10][CH:11]([N:13]4[CH:14]([CH3:18])[CH2:15][CH2:16][CH2:17]4)[CH2:12]3)[s:8]2)[cH:19][cH:20]1.[CH3:21][O:22][c:23]1[n:24][cH:25][c:26]([B:29]([OH:30])[OH:31])[cH:27][n:28]1.[n:32]1[cH:33][c:34]([B:35]([OH:36])[OH:37])[cH:38][n:39][cH:40]1>>[c:2]1(-[c:26]2[cH:25][n:24][c:23]([O:22][CH3:21])[n:28][cH:27]2)[cH:3][c:4]2[c:5]([n:6][c:7]([CH:9]3[CH2:10][CH:11]([N:13]4[CH:14]([CH3:18])[CH2:15][CH2:16][CH2:17]4)[CH2:12]3)[s:8]2)[cH:19][cH:20]1

참가 물질

반응물 3

HCID 27367782-Methoxypyrimidine-5-boronic acid

HCID 2795193(Pyrimidin-5-yl)boronic acid

HCID 692313126-Bromo-2-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]-1,3-benzothiazole

생성물 1

HCID 680015596-(2-Methoxypyrimidin-5-yl)-2-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]-1,3-benzothiazole

출처 및 근거

ORD 기록: ord-e43848d22eaa472f9144403ed8922cf5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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