Ethanol → 2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl thiocyanate
반응식
[Br:1][CH2:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[cH:8][cH:9][cH:10]1.[CH3:20][CH2:21][OH:22].[K+:15].[OH2:19].[S-:16][C:17]#[N:18]>>[CH2:2]([C:3](=[O:4])[c:5]1[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[cH:8][cH:9][cH:10]1)[S:16][C:17]#[N:18]참가 물질
6
출처 및 근거
- ORD 기록
- ord-ac305069cea34248933140050d7270f5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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