Methanethiol → 4-Chloro-3-(methylsulphenyl)-2-(methylsulphonyl)benzoic acid
반응식
[CH3:4][SH:5].[Cl:6][c:7]1[c:8]([F:20])[c:9]([S:16](=[O:17])(=[O:18])[CH3:19])[c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15]1.[Li+:3].[O:22]=[CH:23][N:24]([CH3:25])[CH3:26].[OH-:2].[OH2:1].[OH2:21]>>[CH3:4][S:5][c:8]1[c:7]([Cl:6])[cH:15][cH:14][c:10]([C:11](=[O:12])[OH:13])[c:9]1[S:16](=[O:17])(=[O:18])[CH3:19]참가 물질
7
출처 및 근거
- ORD 기록
- ord-3f35718218fb4a67ae4cd9fbdb75b2e8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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