M-Xylene → Methyl 2-[(2,2,2-trifluoroethyl)amino]benzoate
반응식
[C:1]([c:2]1[c:3]([NH2:4])[cH:5][cH:6][cH:7][cH:8]1)(=[O:9])[O:10][CH3:11].[CH3:25][c:26]1[cH:27][c:28]([CH3:29])[cH:30][cH:31][cH:32]1.[Cl:12][C:13]([Cl:14])([Cl:15])[S:16]([O:17][CH2:18][C:19]([F:20])([F:21])[F:22])(=[O:23])=[O:24]>>[C:1]([c:2]1[c:3]([NH:4][CH2:18][C:19]([F:20])([F:21])[F:22])[cH:5][cH:6][cH:7][cH:8]1)(=[O:9])[O:10][CH3:11]참가 물질
4
출처 및 근거
- ORD 기록
- ord-f8ed2b91e4b04469bd2d176e77a11a78
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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