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[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9]([NH2:10])[cH:11][cH:12]1)[CH3:13].[CH:15]([CH3:16])([CH3:17])[NH:18][C:19](=[NH:20])[NH:21][C:22]#[N:23].[CH:24]([OH:25])([CH3:26])[CH3:27].[ClH:14]>>[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9]([NH:10][C:22]([NH:21][C:19]([NH:18][CH:15]([CH3:16])[CH3:17])=[NH:20])=[NH:23])[cH:11][cH:12]1)[CH3:13]참가 물질
5
출처 및 근거
- ORD 기록
- ord-3f4664500e414b558e6294a874fd11ea
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…