반응식
[CH3:1][C:2](=[O:3])[O:4][C:5](=[O:6])[CH3:7].[CH:61]([Cl:62])([Cl:63])[Cl:64].[Cl-:53].[ClH:54].[F:8][C:9]([c:10]1[c:11]([NH:12][C:13]([c:14]2[c:15]([OH:16])[c:17]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:18][c:19]([C:22]#[N:23])[c:20]2[CH3:21])=[O:28])[cH:29][cH:30][c:31]([C:33]#[N:34])[cH:32]1)([F:35])[F:36].[OH:37][c:38]1[c:39]([C:40]([NH:41][c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)=[O:48])[cH:49][cH:50][cH:51][cH:52]1.[cH:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1>>[CH3:1][C:2](=[O:3])[O:16][c:15]1[c:14]([C:13]([NH:12][c:11]2[c:10]([C:9]([F:8])([F:35])[F:36])[cH:32][c:31]([C:33]#[N:34])[cH:30][cH:29]2)=[O:28])[c:20]([CH3:21])[c:19]([C:22]#[N:23])[cH:18][c:17]1[C:24]([CH3:25])([CH3:26])[CH3:27]참가 물질
8
출처 및 근거
- ORD 기록
- ord-df73b02f677846479c834178d18b2ea8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…