Sodium Ion → 2-Chloro-4-(ethylsulfonyl)benzenethiol
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[CH2:3]([CH3:4])[S:5](=[O:6])(=[O:7])[c:8]1[cH:9][c:10]([Cl:15])[c:11]([F:14])[cH:12][cH:13]1.[Na+:22].[Na+:2].[O:16]=[CH:17][N:18]([CH3:19])[CH3:20].[OH-:21].[SH-:1]>>[SH:1][c:11]1[c:10]([Cl:15])[cH:9][c:8]([S:5]([CH2:3][CH3:4])(=[O:6])=[O:7])[cH:13][cH:12]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-16c96cd1f7bf44c3b2b209fc4d9145e2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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