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[CH3:24][n:25]1[n:26][c:27]([CH3:34])[c:28]([C:31](=[O:32])[OH:33])[c:29]1[CH3:30].[NH2:1][c:2]1[s:3][c:4](-[c:17]2[cH:18][c:19]([F:23])[cH:20][cH:21][cH:22]2)[c:5]([C:7](=[O:8])[N:9]2[CH:10]3[CH2:11][CH:12]3[CH2:13][CH:14]2[CH2:15][NH2:16])[n:6]1>>[NH2:1][c:2]1[s:3][c:4](-[c:17]2[cH:18][c:19]([F:23])[cH:20][cH:21][cH:22]2)[c:5]([C:7](=[O:8])[N:9]2[CH:10]3[CH2:11][CH:12]3[CH2:13][CH:14]2[CH2:15][NH:16][C:31]([c:28]2[c:27]([CH3:34])[n:26][n:25]([CH3:24])[c:29]2[CH3:30])=[O:32])[n:6]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-aaaf0abac44a43a58ca6613544ae8322
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…