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[CH3:41][C:42]#[N:43].[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[Cl:1][c:2]1[cH:3][c:4]([C:12]([C:13](=[O:14])[OH:15])=[N:16][O:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11].[NH2:32][c:33]1[s:34][c:35]([C:38](=[O:39])[NH2:40])[cH:36][n:37]1>>[Cl:1][c:2]1[cH:3][c:4]([C:12]([C:13](=[O:15])[NH:32][c:33]2[s:34][c:35]([C:38](=[O:39])[NH2:40])[cH:36][n:37]2)=[N:16][O:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]참가 물질
5
출처 및 근거
- ORD 기록
- ord-1b1dd2d82749408dbe37e459b83337d9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…