반응식
[CH2:1]([CH3:2])[N:3]([OH:4])[CH2:5][CH3:6].[CH3:37][S:38]([CH3:39])=[O:40].[Cl:7][c:8]1[cH:9][cH:10][c:11]([NH:14][C:15]([c:16]2[c:17]([NH:25][C:26](=[O:27])[c:28]3[s:29][cH:30][c:31]([CH2:34][Cl:35])[c:32]3[Cl:33])[c:18]([O:23][CH3:24])[cH:19][c:20]([Cl:22])[cH:21]2)=[O:36])[n:12][cH:13]1.[K+:41].[K+:42].[O-:43][C:44]([O-:45])=[O:46].[OH2:47]>>[CH2:1]([CH3:2])[N:3]([O:4][CH2:34][c:31]1[cH:30][s:29][c:28]([C:26]([NH:25][c:17]2[c:16]([C:15]([NH:14][c:11]3[cH:10][cH:9][c:8]([Cl:7])[cH:13][n:12]3)=[O:36])[cH:21][c:20]([Cl:22])[cH:19][c:18]2[O:23][CH3:24])=[O:27])[c:32]1[Cl:33])[CH2:5][CH3:6]참가 물질
7
출처 및 근거
- ORD 기록
- ord-2ee398c82ae241a5a676c73d39981c0b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…