반응식
[CH:50]([OH:51])([CH3:52])[CH3:53].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:20]1)[N:7]([CH:16]1[CH2:17][CH2:18][CH2:19]1)[CH2:8][C:9]([F:14])([F:15])[C:10](=[O:13])[N:11]2[CH3:12].[NH2:33][c:34]1[cH:35][cH:36][c:37]([C:38](=[O:39])[NH:40][CH:41]2[CH2:42][CH2:43][N:44]([CH3:47])[CH2:45][CH2:46]2)[cH:48][cH:49]1.[OH2:21].[c:22]1([CH3:23])[c:24]([S:25]([OH:26])(=[O:27])=[O:28])[cH:29][cH:30][cH:31][cH:32]1>>[c:2]1([NH:33][c:34]2[cH:35][cH:36][c:37]([C:38](=[O:39])[NH:40][CH:41]3[CH2:42][CH2:43][N:44]([CH3:47])[CH2:45][CH2:46]3)[cH:48][cH:49]2)[n:3][cH:4][c:5]2[c:6]([n:20]1)[N:7]([CH:16]1[CH2:17][CH2:18][CH2:19]1)[CH2:8][C:9]([F:14])([F:15])[C:10](=[O:13])[N:11]2[CH3:12]참가 물질
6
출처 및 근거
- ORD 기록
- ord-df8a16c0f21b41a0b0de4136f28fd826
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…