1,2-Benzisothiazol-3(2H)-one, 2-(4-bromobutyl)-5-chloro-, 1,1-dioxide → 1,1-Dioxido-2-(4-(4-(5-methyl-3-ethyl-2-oxo-1-benzimidazolinyl)piperidin-1-yl)butyl)-5-chloro-1,2-benzisothiazol-3(2H)-one

반응식

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

참가 물질

반응물 2

HCID 133659801,2-Benzisothiazol-3(2H)-one, 2-(4-bromobutyl)-5-chloro-, 1,1-dioxide

HCID 18695989HCID 18695989, 화합물

생성물 1

HCID 186959481,1-Dioxido-2-(4-(4-(5-methyl-3-ethyl-2-oxo-1-benzimidazolinyl)piperidin-1-yl)butyl)-5-chloro-1,2-benzisothiazol-3(2H)-one

출처 및 근거

ORD 기록: ord-9358379187d94a3b9b5bbd51114ad1de
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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