4-Cyclopentylbenzeneboronic acid → 5-{-4-[2-(4'-Cyclopentyl-biphenyl-4-ylmethyl)-4-(2,4-dichloro-phenyl)-imidazol-1-yl]-phenyl}-1,2,5-thiadiazolidine-3-one-1,1-dioxide

반응식

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8](-[c:20]3[cH:21][cH:22][c:23]([N:26]4[CH2:27][C:28](=[O:33])[NH:29][S:30]4(=[O:31])=[O:32])[cH:24][cH:25]3)[cH:9][c:10](-[c:12]3[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]3)[n:11]2)[cH:34][cH:35]1.[CH:36]1([c:41]2[cH:42][cH:43][c:44]([B:47]([OH:48])[OH:49])[cH:45][cH:46]2)[CH2:37][CH2:38][CH2:39][CH2:40]1>>[c:2]1(-[c:44]2[cH:43][cH:42][c:41]([CH:36]3[CH2:37][CH2:38][CH2:39][CH2:40]3)[cH:46][cH:45]2)[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8](-[c:20]3[cH:21][cH:22][c:23]([N:26]4[CH2:27][C:28](=[O:33])[NH:29][S:30]4(=[O:31])=[O:32])[cH:24][cH:25]3)[cH:9][c:10](-[c:12]3[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]3)[n:11]2)[cH:34][cH:35]1

참가 물질

반응물 2

HCID 41979984-Cyclopentylbenzeneboronic acid

HCID 593054905-{4-[2-(4-Bromo-benzyl)-4-(2,4-dichloro-phenyl)-imidazol-1-yl]-phenyl}-1,2,5-thiadiazolidine-3-one-1,1-dioxide

생성물 1

HCID 593053865-{-4-[2-(4'-Cyclopentyl-biphenyl-4-ylmethyl)-4-(2,4-dichloro-phenyl)-imidazol-1-yl]-phenyl}-1,2,5-thiadiazolidine-3-one-1,1-dioxide

출처 및 근거

ORD 기록: ord-f86bb288647e431f9b6442bbe37b214e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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