Ethanol → N-{4-[(6,7-Dimethoxy-4-quinazolinyl)oxy]phenyl}-N'-(2-methylpentanoyl)thiourea
반응식
[CH3:11][O:12][c:13]1[cH:14][c:15]2[c:16]([O:25][c:26]3[cH:27][cH:28][c:29]([NH2:30])[cH:31][cH:32]3)[n:17][cH:18][n:19][c:20]2[cH:21][c:22]1[O:23][CH3:24].[CH3:1][CH:2]([C:3](=[O:4])[N:5]=[C:6]=[S:7])[CH2:8][CH2:9][CH3:10].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:40][CH2:41][OH:42]>>[CH3:1][CH:2]([C:3](=[O:4])[NH:5][C:6](=[S:7])[NH:30][c:29]1[cH:28][cH:27][c:26]([O:25][c:16]2[c:15]3[cH:14][c:13]([O:12][CH3:11])[c:22]([O:23][CH3:24])[cH:21][c:20]3[n:19][cH:18][n:17]2)[cH:32][cH:31]1)[CH2:8][CH2:9][CH3:10]참가 물질
5
출처 및 근거
- ORD 기록
- ord-442a98f85660449c9dbf956446577530
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
- DOI