반응식
[C:30](=[O:31])([O-:32])[O-:33].[CH3:36][S:37](=[O:38])(=[O:39])[c:40]1[cH:41][c:42]([NH2:46])[cH:43][cH:44][cH:45]1.[Cl:13][c:14]1[cH:15][cH:16][c:17](-[n:20]2[n:21][cH:22][c:23]([NH2:29])[c:24]2[C:25]([F:26])([F:27])[F:28])[cH:18][cH:19]1.[Cl:1][C:2]([Cl:3])([O:4][C:5]([O:6][C:7]([Cl:8])([Cl:9])[Cl:10])=[O:11])[Cl:12].[Cl:48][CH2:49][Cl:50].[ClH:47].[Na+:34].[Na+:35].[OH2:51]>>[C:5](=[O:11])([NH:29][c:23]1[cH:22][n:21][n:20](-[c:17]2[cH:16][cH:15][c:14]([Cl:13])[cH:19][cH:18]2)[c:24]1[C:25]([F:26])([F:27])[F:28])[NH:46][c:42]1[cH:41][c:40]([S:37]([CH3:36])(=[O:38])=[O:39])[cH:45][cH:44][cH:43]1참가 물질
9
출처 및 근거
- ORD 기록
- ord-474f45de86134ae6849d32df656b4f96
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…