Water → 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile
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[Cl:1][C:2]([Cl:3])=[S:4].[NH2:5][c:6]1[cH:7][c:8]([C:14]([F:15])([F:16])[F:17])[c:9]([C:10]#[N:11])[cH:12][cH:13]1.[OH2:18]>>[C:2](=[S:4])=[N:5][c:6]1[cH:7][c:8]([C:14]([F:15])([F:16])[F:17])[c:9]([C:10]#[N:11])[cH:12][cH:13]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-e0a3dd8803c2475f923bebd7f018f4e5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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