2,3-Bis(trifluoromethyl)aniline → 1-(2,3-Bis(trifluoromethyl)phenyl)-3-(2-fluoropyridin-3-ylmethyl)thiourea
반응식
[Cl:25][CH:26]1[C:27]([Cl:28])=[CH:29][CH:30]=[CH:31][C:32]1([N:33]=[C:35]=[S:36])[F:34].[F:16][c:17]1[n:18][cH:19][cH:20][cH:21][c:22]1[CH2:23][NH2:24].[F:1][C:2]([c:3]1[c:4]([NH2:13])[cH:5][cH:6][cH:7][c:8]1[C:9]([F:10])([F:11])[F:12])([F:14])[F:15]>>[F:1][C:2]([c:3]1[c:4]([NH:13][C:35]([NH:24][CH2:23][c:22]2[c:17]([F:16])[n:18][cH:19][cH:20][cH:21]2)=[S:36])[cH:5][cH:6][cH:7][c:8]1[C:9]([F:10])([F:11])[F:12])([F:14])[F:15]참가 물질
4
출처 및 근거
- ORD 기록
- ord-f1da41a9cdc4478f9c62b5669010a4c9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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