반응식
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][c:12]([CH3:14])[cH:13]1.[CH3:90][OH:91].[CH:75]([N:76]([CH2:77][CH3:78])[CH:79]([CH3:80])[CH3:81])([CH3:82])[CH3:83].[ClH:49].[ClH:50].[ClH:84].[NH2:51][CH:52]([CH:53]([CH2:54][NH:55][CH2:56][c:57]1[cH:58][c:59]([CH2:63][CH3:64])[cH:60][cH:61][cH:62]1)[OH:65])[CH2:66][c:67]1[cH:68][c:69]([F:74])[cH:70][c:71]([F:73])[cH:72]1.[O:85]=[CH:86][N:87]([CH3:88])[CH3:89].[OH2:92].[OH:39][n:40]1[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1.[P-:15]([F:16])([F:17])([F:18])([F:19])([F:20])[F:21].[n:22]1([O:23][C:24]([N:25]([CH3:26])[CH3:27])=[N+:28]([CH3:29])[CH3:30])[c:31]2[n:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[C:3](=[O:4])([c:5]1[cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][c:12]([CH3:14])[cH:13]1)[NH:51][CH:52]([CH:53]([CH2:54][NH:55][CH2:56][c:57]1[cH:58][c:59]([CH2:63][CH3:64])[cH:60][cH:61][cH:62]1)[OH:65])[CH2:66][c:67]1[cH:68][c:69]([F:74])[cH:70][c:71]([F:73])[cH:72]1.[ClH:49]참가 물질
12
반응물 10
생성물 2
출처 및 근거
- ORD 기록
- ord-11955067b7c44c1781ba31fd917e4104
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
연결된 노트
불러오는 중…