Acetonitrile → HCID 178425042, 화합물
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[CH3:27][C:28]#[N:29].[CH:18]([N:19]([CH2:20][CH3:21])[CH:22]([CH3:23])[CH3:24])([CH3:25])[CH3:26].[Cl:1][c:2]1[c:3]([CH2:4][NH2:5])[c:6]([CH3:10])[cH:7][cH:8][cH:9]1.[S:11]1[C:12](=[S:13])[NH:14][C:15](=[O:16])[CH2:17]1>>[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:12]2=[N:14][C:15](=[O:16])[CH2:17][S:11]2)[c:6]([CH3:10])[cH:7][cH:8][cH:9]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-9a310ccc32e04deca94264495d6460e8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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