반응식
[CH3:1][c:2]1[c:3]([NH2:4])[cH:5][c:6]([O:9][CH3:10])[cH:7][cH:8]1.[CH:11]([N:12]([CH:13]([CH3:14])[CH3:15])[CH2:16][CH3:17])([CH3:18])[CH3:19].[Cl:20][CH2:21][C:22](=[O:23])[Cl:24].[ClH:25].[O:26]1[CH2:27][CH2:28][CH2:29][CH2:30]1>>[CH3:1][c:2]1[c:3]([NH:4][C:22]([CH2:21][Cl:20])=[O:23])[cH:5][c:6]([O:9][CH3:10])[cH:7][cH:8]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-30b6245e43b8477982949cfa89ade5ed
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…