2,2,2-Trifluoroethanol → 3-Nitro-5-sulphamyl-4-(beta,beta,beta-trifluoroethoxy)-benzoic acid
반응식
[Cl:1][c:2]1[c:3]([N+:15](=[O:16])[O-:17])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]1[S:11]([NH2:12])(=[O:13])=[O:14].[F:18][C:19]([CH2:20][OH:21])([F:22])[F:23]>>[c:2]1([O:21][CH2:20][C:19]([F:18])([F:22])[F:23])[c:3]([N+:15](=[O:16])[O-:17])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]1[S:11]([NH2:12])(=[O:13])=[O:14]참가 물질
3
출처 및 근거
- ORD 기록
- ord-f610ff38d2424fb395b5be624a1678d5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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