반응식
[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([OH:12])[cH:10][cH:11]1)[NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21].[CH3:22][c:23]1[n:24][cH:25][cH:26][c:27]([B:30]([OH:31])[OH:32])[c:28]1[CH3:29].[CH3:33][C:34](=[O:35])[O-:36].[Cl:37][CH2:38][Cl:39]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][c:27]2[cH:26][cH:25][n:24][c:23]([CH3:22])[c:28]2[CH3:29])[cH:10][cH:11]1)[NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21]참가 물질
5
출처 및 근거
- ORD 기록
- ord-635894b71b224c43b5a6a29a21670a35
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…