반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]2[C:15](=[O:37])[CH:16]([CH2:19][c:20]3[c:21]([Cl:36])[cH:22][c:23](-[c:27]4[cH:28][cH:29][c:30]([C:33](=[O:34])[OH:35])[cH:31][cH:32]4)[cH:24][c:25]3[Cl:26])[CH2:17][CH2:18]2)[CH2:12][CH2:13]1.[CH3:59][N:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[Cl:66][CH2:67][Cl:68].[ClH:38].[F:39][C:40]([CH:41]1[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]1)([F:47])[F:48].[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]2[C:15](=[O:37])[CH:16]([CH2:19][c:20]3[c:21]([Cl:36])[cH:22][c:23](-[c:27]4[cH:28][cH:29][c:30]([C:33](=[O:34])[N:44]5[CH2:43][CH2:42][CH:41]([C:40]([F:39])([F:47])[F:48])[CH2:46][CH2:45]5)[cH:31][cH:32]4)[cH:24][c:25]3[Cl:26])[CH2:17][CH2:18]2)[CH2:12][CH2:13]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-308d3bb025ee40ae848185bc963d0aaf
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…