반응식
[CH3:54][CH:55]([OH:56])[CH3:57].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:22]1)[N:7]([CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21]1)[CH2:8][C:9]([F:15])([F:16])[C:10](=[O:14])[N:11]2[CH2:12][CH3:13].[NH2:23][c:24]1[c:25]([O:40][CH3:41])[cH:26][c:27]([C:28](=[O:29])[NH:30][CH:31]2[CH2:32][CH2:33][N:34]([CH3:37])[CH2:35][CH2:36]2)[cH:38][cH:39]1.[OH2:42].[c:43]1([CH3:44])[cH:45][cH:46][c:47]([S:48]([OH:49])(=[O:50])=[O:51])[cH:52][cH:53]1>>[c:2]1([NH:23][c:24]2[c:25]([O:40][CH3:41])[cH:26][c:27]([C:28](=[O:29])[NH:30][CH:31]3[CH2:32][CH2:33][N:34]([CH3:37])[CH2:35][CH2:36]3)[cH:38][cH:39]2)[n:3][cH:4][c:5]2[c:6]([n:22]1)[N:7]([CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21]1)[CH2:8][C:9]([F:15])([F:16])[C:10](=[O:14])[N:11]2[CH2:12][CH3:13]참가 물질
6
출처 및 근거
- ORD 기록
- ord-d1e2085168704f30af08439a35c055a4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
연결된 노트
불러오는 중…