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[Cl:1][c:2]1[cH:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][CH2:16][O:17][CH3:18])[c:9]([C:12]#[N:13])[cH:10][c:11]12.[Cl:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[F:19][c:20]1[cH:21][c:22]([OH:29])[cH:23][cH:24][c:25]1[N+:26](=[O:27])[O-:28]>>[c:2]1([O:29][c:22]2[cH:21][c:20]([F:19])[c:25]([N+:26](=[O:27])[O-:28])[cH:24][cH:23]2)[cH:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][CH2:16][O:17][CH3:18])[c:9]([C:12]#[N:13])[cH:10][c:11]12참가 물질
4
출처 및 근거
- ORD 기록
- ord-32c7465d188947b584946c004b31981a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
연결된 노트
불러오는 중…