Ammonium → 3-Phenoxy-5-(trifluoromethyl)picolinamide
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[NH4+:25].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([C:18]#[N:19])[n:10][cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]1.[OH-:26].[S:20]([OH:21])(=[O:22])(=[O:23])[OH:24]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([C:18]([NH2:19])=[O:21])[n:10][cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-b608cfee8106457a99aa952810f90728
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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