N-cyano-O-phenyl-N'-[3-(3-(piperidinomethyl)phenoxy]propyl]isourea → N-cyano-N'-[4-[N-[3-(4-fluorophenyl)-3-(2-pyridyl)propyl]-N-methylamino]-butyl]-N"-[3-[3-(piperidinomethyl)phenoxy]propyl]guanidine
Reaction equation
[C:24](#[N:25])[NH:26][C:27]([O:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)=[N:35][CH2:36][CH2:37][CH2:38][O:39][c:40]1[cH:41][c:42]([CH2:46][N:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[cH:43][cH:44][cH:45]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][N:11]([CH2:12][CH2:13][CH2:14][CH2:15][NH2:16])[CH3:17])[c:18]2[n:19][cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][N:11]([CH2:12][CH2:13][CH2:14][CH2:15][NH:16][C:27]([NH:26][C:24]#[N:25])=[N:35][CH2:36][CH2:37][CH2:38][O:39][c:40]2[cH:41][c:42]([CH2:46][N:47]3[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]3)[cH:43][cH:44][cH:45]2)[CH3:17])[c:18]2[n:19][cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-a34845c0222a45f68996acc6824c8839
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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