1,1'-Carbonyldiimidazole → N-[4-[N-[3-phenyl-3-(2-pyridyl)propyl]-N-methylamino]butyl]-N'-[3-[3-(piperidinomethyl)phenoxy]propyl]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.[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][CH2:6][NH2:7])[CH2:8][CH2:9][CH:10]([c:11]1[n:12][cH:13][cH:14][cH:15][cH:16]1)[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[N:35]1([CH2:41][c:42]2[cH:43][c:44]([O:45][CH2:46][CH2:47][CH2:48][NH2:49])[cH:50][cH:51][cH:52]2)[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][CH2:6][NH:7][C:23](=[O:24])[NH:49][CH2:48][CH2:47][CH2:46][O:45][c:44]1[cH:43][c:42]([CH2:41][N:35]2[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]2)[cH:52][cH:51][cH:50]1)[CH2:8][CH2:9][CH:10]([c:11]1[n:12][cH:13][cH:14][cH:15][cH:16]1)[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-c2ca10bcb00b49b3b19592444d9eadf0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
- DOI