Sodium ion → S-4-benzyl-2-nitrophenyl dimethylcarbamothioate
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[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([N+:15](=[O:16])[O-:17])[c:11]([OH:14])[cH:12][cH:13]1.[CH3:20][N:21]([C:22](=[S:23])[Cl:24])[CH3:25].[H-:18].[Na+:19].[O:27]=[CH:28][N:29]([CH3:30])[CH3:31].[OH2:26]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([N+:15](=[O:16])[O-:17])[c:11]([S:23][C:22]([N:21]([CH3:20])[CH3:25])=[O:26])[cH:12][cH:13]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-152bf81144d74609a172b48b049d53a8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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