반응식
[CH3:1][O:2][c:3]1[c:4]([N+:26]([O-:27])=[O:28])[cH:5][c:6]([N:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[CH2:18][c:19]2[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]2)[cH:7][cH:8]1.[CH3:32][CH2:33][OH:34].[Ca+2:31].[Cl-:29].[Cl-:30].[Zn:35]>>[CH3:1][O:2][c:3]1[c:4]([NH2:26])[cH:5][c:6]([N:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[CH2:18][c:19]2[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]2)[cH:7][cH:8]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-62e5c71a65834429b741655c848173c3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…