반응식
[CH3:19][CH:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[CH3:31][CH2:32][OH:33].[Ca+2:26].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]1.[O-:27][C:28](=[O:29])[O-:30]>>[c:2]1([N:23]2[CH2:22][CH2:21][CH:20]([CH3:19])[CH2:25][CH2:24]2)[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-0c65afda7abb4158b5513fea8c9096e8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…