Calcium Cation → 2,3-Difluoro-6-nitrophenol
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[Ca+2:14].[F:1][c:2]1[c:3]([N+:10](=[O:11])[O-:12])[cH:4][cH:5][c:6]([F:9])[c:7]1[F:8].[OH-:13].[OH-:15].[OH2:21].[S:16]([OH:17])(=[O:18])(=[O:19])[OH:20]>>[c:2]1([OH:17])[c:3]([N+:10](=[O:11])[O-:12])[cH:4][cH:5][c:6]([F:9])[c:7]1[F:8]참가 물질
6
출처 및 근거
- ORD 기록
- ord-99c2ae96e7114f58b75ae25ddd792505
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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