N-cyano-O-phenyl-N'-[3-(3-(piperidinomethyl)phenoxy]propyl]isourea → HCID 54365959, compound
Reaction equation
[C:25](#[N:26])[NH:27][C:28]([O:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[N:36][CH2:37][CH2:38][CH2:39][O:40][c:41]1[cH:42][c:43]([CH2:47][N:48]2[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]2)[cH:44][cH:45][cH:46]1.[Cl: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][CH2:16][NH2:17])[CH3:18])[c:19]2[n:20][cH:21][cH:22][cH:23][cH:24]2)[cH:6][cH:7]1>>[Cl: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][CH2:16][NH:17][C:28]([NH:27][C:25]#[N:26])=[N:36][CH2:37][CH2:38][CH2:39][O:40][c:41]2[cH:42][c:43]([CH2:47][N:48]3[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]3)[cH:44][cH:45][cH:46]2)[CH3:18])[c:19]2[n:20][cH:21][cH:22][cH:23][cH:24]2)[cH:6][cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-c73fdd8e4dc649c69a768ba6b521b670
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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