Water → 3-Bromo-2-fluoro-6-methyl-5-nitrobenzoic acid
반응식
[Br:20][N:21]1[C:22]([CH3:23])([CH3:24])[C:25](=[O:26])[N:27]([Br:28])[C:29]1=[O:30].[F:1][c:2]1[cH:3][cH:4][c:5]([N+:12](=[O:13])[O-:14])[c:6]([CH3:11])[c:7]1[C:8](=[O:9])[OH:10].[OH2:31].[S:15](=[O:16])(=[O:17])([OH:18])[OH:19]>>[F:1][c:2]1[c:3]([Br:20])[cH:4][c:5]([N+:12](=[O:13])[O-:14])[c:6]([CH3:11])[c:7]1[C:8](=[O:9])[OH:10]참가 물질
5
출처 및 근거
- ORD 기록
- ord-c6df44c65e4b45308d4fbec6482de119
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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