Sodium Ion → Methyl 2-(4-hydroxyphenyl-thio)isobutyrate
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[CH3:11][O:12][C:13]([C:14]([CH3:15])([CH3:16])[Br:17])=[O:18].[CH3:20][C:21]#[N:22].[H-:10].[Na+:9].[OH2:19].[SH:1][c:2]1[cH:3][cH:4][c:5]([OH:8])[cH:6][cH:7]1>>[S:1]([c:2]1[cH:3][cH:4][c:5]([OH:8])[cH:6][cH:7]1)[C:14]([C:13]([O:12][CH3:11])=[O:18])([CH3:15])[CH3:16]참가 물질
7
출처 및 근거
- ORD 기록
- ord-4480dada20674a0e9edb27280431f07a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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