Water → 5-Isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrile
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[CH:19]([Cl:20])([Cl:21])[Cl:22].[Cl:15][C:16]([Cl:17])=[S:18].[NH2:1][c:2]1[cH:3][c:4]([C:10]([F:11])([F:12])[F:13])[c:5]([C:8]#[N:9])[n:6][cH:7]1.[OH2:14]>>[N:1]([c:2]1[cH:3][c:4]([C:10]([F:11])([F:12])[F:13])[c:5]([C:8]#[N:9])[n:6][cH:7]1)=[C:16]=[S:18]참가 물질
5
출처 및 근거
- ORD 기록
- ord-7b0ceab9d16e48ef92527a33db1aa5a8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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