N-cyano-O-phenyl-N'-[3-(3-(piperidinomethyl)phenoxy]propyl]isourea → HCID 54107872, 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.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][CH2:16][N:17]([CH2:18][CH2:19][CH2:20][NH2:21])[CH3:22])[cH:23][cH:24]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][CH2:16][N:17]([CH2:18][CH2:19][CH2:20][NH:21][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)[CH3:22])[cH:23][cH:24]1Participants
3
Sources & evidence
- ORD record
- ord-91f529c4af064f3d85158805354a6cde
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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