1,1'-Carbonyldiimidazole → N-[2-[[5-[(dimethylamino)methyl]furfuryl]thio]ethyl]-N'-[2-[N-[2-[N-(4-fluorobenzyl)-N-(2-pyridyl)amino]ethyl]-N-methylamino]ethyl]urea
반응식
[C:23](=[O:24])([n:25]1[cH:26][cH:27][n:28][cH:29]1)[n:30]1[cH:31][cH:32][n:33][cH:34]1.[CH3:35][N:36]([CH3:37])[CH2:38][c:39]1[cH:40][cH:41][c:42]([CH2:43][S:44][CH2:45][CH2:46][NH2:47])[o:48]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH2:15][N:16]([CH2:17][CH2:18][NH2:19])[CH3:20])[cH:21][cH:22]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH2:15][N:16]([CH2:17][CH2:18][NH:19][C:23](=[O:24])[NH:47][CH2:46][CH2:45][S:44][CH2:43][c:42]2[cH:41][cH:40][c:39]([CH2:38][N:36]([CH3:35])[CH3:37])[o:48]2)[CH3:20])[cH:21][cH:22]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-f902cf19cfb04ba88b3b070062be6a54
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
- DOI