Sodium ion → 2-(4-(4-((1-(2-Chlorophenyl)ethoxy)carbonyl)isoxazol-3-yl)benzylthio)ethanesulfonic acid
반응식
[Cl:1][c:2]1[c:3]([CH:8]([CH3:9])[O:10][C:11](=[O:12])[NH:13][c:14]2[c:15](-[c:19]3[cH:20][cH:21][c:22]([CH2:23][S:24][CH2:25][CH2:26][C:27]([O:28][CH3:29])=[O:30])[cH:31][cH:32]3)[n:16][o:17][cH:18]2)[cH:4][cH:5][cH:6][cH:7]1.[Na+:40].[SH:33][CH2:34][CH2:35][S:36](=[O:37])(=[O:38])[O-:39]>>[Cl:1][c:2]1[c:3]([CH:8]([CH3:9])[O:10][C:11](=[O:12])[NH:13][c:14]2[c:15](-[c:19]3[cH:20][cH:21][c:22]([CH2:23][S:24][CH2:25][CH2:26][S:36](=[O:37])(=[O:38])[OH:39])[cH:31][cH:32]3)[n:16][o:17][cH:18]2)[cH:4][cH:5][cH:6][cH:7]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-93a0a661bef5491eac74102623be1a47
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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