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[CH3:35][O:36][CH2:37][CH2:38][O:39][CH3:40].[NH2:1][c:2]1[cH:3][c:4]([O:15][S:16]([C:17]([F:18])([F:19])[F:20])(=[O:21])=[O:22])[c:5]([C:13]#[N:14])[c:6](-[c:8]2[o:9][cH:10][cH:11][cH:12]2)[n:7]1.[NH2:23][CH2:24][c:25]1[n:26][c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]2[cH:33][cH:34]1>>[NH2:1][c:2]1[cH:3][c:4]([NH:23][CH2:24][c:25]2[n:26][c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]3[cH:33][cH:34]2)[c:5]([C:13]#[N:14])[c:6](-[c:8]2[o:9][cH:10][cH:11][cH:12]2)[n:7]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-3d47ca045c2e426f9568d0cfac434f16
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
연결된 노트
불러오는 중…