N-cyano-O-phenyl-N'-[3-(3-(piperidinomethyl)phenoxy]propyl]isourea → HCID 54160086, compound
Reaction equation
[C:28](#[N:29])[NH:30][C:31]([O:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)=[N:39][CH2:40][CH2:41][CH2:42][O:43][c:44]1[cH:45][c:46]([CH2:50][N:51]2[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]2)[cH:47][cH:48][cH:49]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][CH2:22][CH2:23][NH2:24])[CH3:25])[cH:26][cH:27]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][CH2:22][CH2:23][NH:24][C:31]([NH:30][C:28]#[N:29])=[N:39][CH2:40][CH2:41][CH2:42][O:43][c:44]2[cH:45][c:46]([CH2:50][N:51]3[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]3)[cH:47][cH:48][cH:49]2)[CH3:25])[cH:26][cH:27]1Participants
3
Sources & evidence
- ORD record
- ord-8c68662f646c44efacdc1bb2bda3d7a7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…