1,2-Benzisothiazol-3(2H)-one, 2-(4-bromobutyl)-5-chloro-, 1,1-dioxide → HCID 18695973, 화합물
반응식
[CH:1]([CH3:2])([CH3:3])[n:4]1[c:5](=[O:19])[n:6]([CH:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2.[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>>[CH:1]([CH3:2])([CH3:3])[n:4]1[c:5](=[O:19])[n:6]([CH:13]2[CH2:14][CH2:15][N:16]([CH2:35][CH2:34][CH2:33][CH2:32][N:22]3[S:21](=[O:20])(=[O:37])[c:25]4[c:24]([cH:29][c:28]([Cl:30])[cH:27][cH:26]4)[C:23]3=[O:31])[CH2:17][CH2:18]2)[c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-1c4255ad1dfc488c87e3ff8aaab8ba32
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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