Nitric Acid → 3-(Difluoromethoxy)-2,4,5-trifluoro-6-nitrobenzoic acid
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[F:6][CH:7]([O:8][c:9]1[c:10]([F:20])[c:11]([C:12](=[O:13])[OH:14])[cH:15][c:16]([F:19])[c:17]1[F:18])[F:21].[OH2:5].[OH:1][N+:2]([O-:3])=[O:4].[S:22](=[O:23])(=[O:24])([OH:25])[OH:26]>>[O-:1][N+:2](=[O:4])[c:15]1[c:11]([C:12](=[O:13])[OH:14])[c:10]([F:20])[c:9]([O:8][CH:7]([F:6])[F:21])[c:17]([F:18])[c:16]1[F:19]참가 물질
5
출처 및 근거
- ORD 기록
- ord-4c48a14661b547f9a0f5d9251b8d47bf
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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