반응식
[CH2:30]([OH:31])[CH2:32][CH:33]([CH3:34])[CH3:35].[Cl:1][c:2]1[n:3][c:4]2[c:5]([O:15][CH3:16])[c:6]([O:13][CH3:14])[cH:7][cH:8][c:9]2[c:10]([NH2:12])[n:11]1.[OH2:36].[o:17]1[c:18]([C:22](=[O:23])[N:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]2)[cH:19][cH:20][cH:21]1>>[ClH:1].[c:2]1([N:27]2[CH2:26][CH2:25][N:24]([C:22]([c:18]3[o:17][cH:21][cH:20][cH:19]3)=[O:23])[CH2:29][CH2:28]2)[n:3][c:4]2[c:5]([O:15][CH3:16])[c:6]([O:13][CH3:14])[cH:7][cH:8][c:9]2[c:10]([NH2:12])[n:11]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-61692c7c9dda474bb6f0fa441cead3d5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…