반응식
[CH3:27][c:28]1[c:29]([N:37]=[C:38]=[O:39])[cH:30][cH:31][c:32]([N+:34](=[O:35])[O-:36])[cH:33]1.[CH:9]1([NH:15][C:16]2([CH2:21][Cl:22])[CH2:17][CH2:18][CH2:19][CH2:20]2)[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1.[Cl:23][CH2:24][CH2:25][NH2:26].[OH:1][CH2:2][CH2:3][NH2:4].[S:5]([Cl:6])([Cl:7])=[O:8]>>[CH:9]1([N:15]2[C:16]3([CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:21][O:39][C:38]2=[N:37][c:29]2[c:28]([CH3:27])[cH:33][c:32]([N+:34](=[O:35])[O-:36])[cH:31][cH:30]2)[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-112e8dfa83fd42a0a1eb6ea19dc07179
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…