반응식
[C:31](=[O:32])([O-:33])[O-:34].[CH3:16][O:17][c:18]1[c:19]([N:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29][CH2:30]2)[n:20][cH:21][cH:22][cH:23]1.[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Cl:1][CH2:2][c:3]1[n:4][c:5](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[s:6][cH:7]1.[ClH:14].[ClH:15].[Cs+:35].[Cs+:36].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[CH2:2]([c:3]1[n:4][c:5](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[s:6][cH:7]1)[N:27]1[CH2:26][CH2:25][N:24]([c:19]2[c:18]([O:17][CH3:16])[cH:23][cH:22][cH:21][n:20]2)[CH2:30][CH2:29][CH2:28]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-46a90ec859734fe5be1020c2295f1ade
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…