3,5-Difluorobenzenesulfonyl chloride → 5-Bromo-1'-({6-chloro-1-[(3,5-difluorophenyl)sulfonyl]-1H-indol-3-yl}carbonyl)-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one

반응식

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

참가 물질

반응물 2

HCID 27740583,5-Difluorobenzenesulfonyl chloride

HCID 596576195-bromo-1'-[(6-chloro-1H-indol-3-yl)carbonyl]-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one

생성물 1

HCID 596576995-Bromo-1'-({6-chloro-1-[(3,5-difluorophenyl)sulfonyl]-1H-indol-3-yl}carbonyl)-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one

출처 및 근거

ORD 기록: ord-4ef42bf75d674d1c94f3c3ddee9c5f31
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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