반응식
[C:20]([n:21]1[cH:22][cH:23][n:24][cH:25]1)([n:26]1[cH:27][cH:28][n:29][cH:30]1)=[O:31].[CH3:32][NH:33][CH2:34][c:35]1[cH:36][c:37]([O:41][CH3:42])[cH:38][cH:39][cH:40]1.[Cl:1][c:2]1[cH:3][c:4]([CH:9]([C:10](=[O:11])[OH:12])[S:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:5][c:6]([Cl:8])[cH:7]1.[Cl:43][CH2:44][Cl:45]>>[Cl:1][c:2]1[cH:3][c:4]([CH:9]([C:10](=[O:12])[N:33]([CH3:32])[CH2:34][c:35]2[cH:36][c:37]([O:41][CH3:42])[cH:38][cH:39][cH:40]2)[S:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:5][c:6]([Cl:8])[cH:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-153b578edcc04b288ccc1ad13be1f9d8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
연결된 노트
불러오는 중…