Ethanol → 2-[(4-Nitrophenyl)thio]-1H-imidazole
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[CH2:20]([OH:21])[CH3:22].[CH3:1][O-:2].[F:10][c:11]1[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1.[Na+:3].[SH:4][c:5]1[nH:6][cH:7][cH:8][n:9]1>>[S:4]([c:5]1[nH:6][cH:7][cH:8][n:9]1)[c:11]1[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-7c8e79dab1bd4518871d5d144920ac3a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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