반응식
[CH3:1][c:2]1[cH:3][c:4]([NH:7][c:8]2[n:9][c:10]([S:23][CH3:24])[n:11][c:12]([N:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[c:13]2[N+:14](=[O:15])[O-:16])[n:5][nH:6]1.[CH3:49][OH:50].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:51][CH2:52][Cl:53].[F:30][c:31]1[cH:32][cH:33][c:34]([CH:37]([CH3:38])[NH2:39])[n:35][cH:36]1.[Na+:29].[O-:25][C:26]([OH:27])=[O:28].[OH2:54]>>[CH3:1][c:2]1[cH:3][c:4]([NH:7][c:8]2[n:9][c:10]([NH:39][CH:37]([c:34]3[cH:33][cH:32][c:31]([F:30])[cH:36][n:35]3)[CH3:38])[n:11][c:12]([N:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[c:13]2[N+:14](=[O:15])[O-:16])[n:5][nH:6]1참가 물질
10
반응물 9
생성물 1
출처 및 근거
- ORD 기록
- ord-136a176d77474572b7417e76a103f904
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…