1,1'-Carbonyldiimidazole → N-[5-[N-[2-[N-(4-fluorobenzyl)-N-(2-pyridyl)amino]ethyl]-N-methylamino]-pentyl]-N'-[3-[3-(piperidinomethyl)phenoxy]propyl]urea
Reaction equation
[C:26](=[O:27])([n:28]1[cH:29][cH:30][n:31][cH:32]1)[n:33]1[cH:34][cH:35][n:36][cH:37]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][CH2:19][CH2:20][CH2:21][NH2:22])[CH3:23])[cH:24][cH:25]1.[N:38]1([CH2:44][c:45]2[cH:46][c:47]([O:48][CH2:49][CH2:50][CH2:51][NH2:52])[cH:53][cH:54][cH:55]2)[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]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][CH2:19][CH2:20][CH2:21][NH:22][C:26](=[O:27])[NH:52][CH2:51][CH2:50][CH2:49][O:48][c:47]2[cH:46][c:45]([CH2:44][N:38]3[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]3)[cH:55][cH:54][cH:53]2)[CH3:23])[cH:24][cH:25]1Participants
4
Sources & evidence
- ORD record
- ord-bee1da8d2aff4d95876e68452a03fd47
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)