반응식
[B-:42]([F:43])([F:44])([F:45])[F:46].[CH3:1][c:2]1[n:3][c:4](-[c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[s:5][c:6]1[C:7](=[O:8])[OH:9].[CH3:83][CH2:84][O:85][C:86](=[O:87])[CH3:88].[CH:64]([N:65]([CH2:66][CH3:67])[CH:68]([CH3:69])[CH3:70])([CH3:71])[CH3:72].[ClH:20].[NH2:21][CH2:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([O:28][CH2:29][c:30]2[c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41]1.[Na+:73].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH:74][C:75](=[O:76])[O-:77].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[CH3:1][c:2]1[n:3][c:4](-[c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[s:5][c:6]1[C:7](=[O:9])[NH:21][CH2:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([O:28][CH2:29][c:30]2[c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41]1참가 물질
11
반응물 10
생성물 1
출처 및 근거
- ORD 기록
- ord-5be377246d354ee18701e5ee08c54557
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…