반응식
[CH3:1][n:2]1[cH:3][n:4][c:5]2[c:6]([C:27]#[N:28])[n:7][c:8](-[c:11]3[cH:12][c:13]([C:23]([F:24])([F:25])[F:26])[c:14]([O:17][CH2:18][CH2:19][CH2:20][NH:21][CH3:22])[cH:15][cH:16]3)[cH:9][c:10]12.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:37][N:38]1[CH:39]([C:44](=[O:45])[OH:46])[CH2:40][CH2:41][CH2:42][CH2:43]1.[Cl:71][CH2:72][Cl:73].[ClH:36].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[CH3:1][n:2]1[cH:3][n:4][c:5]2[c:6]([C:27]#[N:28])[n:7][c:8](-[c:11]3[cH:12][c:13]([C:23]([F:24])([F:25])[F:26])[c:14]([O:17][CH2:18][CH2:19][CH2:20][N:21]([CH3:22])[C:44]([CH:39]4[N:38]([CH3:37])[CH2:43][CH2:42][CH2:41][CH2:40]4)=[O:46])[cH:15][cH:16]3)[cH:9][c:10]12참가 물질
8
출처 및 근거
- ORD 기록
- ord-b04d5f2c834840a19c07ae32b0683832
- 출처 데이터셋
- Test data from https://doi.org/10.1039/C8SC04228D
연결된 노트
불러오는 중…