N-cyano-O-phenyl-N'-[3-(3-(piperidinomethyl)phenoxy]propyl]isourea → HCID 54452316, compound

HRID 1574779Notes

Reaction equation

HRID 1574779 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.[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][NH2:21])[CH3:22])[cH:23][cH:24]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][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]1

Participants

3

Reactant 2

HCID 13486636N-cyano-O-phenyl-N'-[3-(3-(piperidinomethyl)phenoxy]propyl]isoureaHCID 19762574N-[2-[N-(4-fluorobenzyl)-N-(2-pyridyl)amino]ethyl]-N-methyl-1,4-butanediamine

Product 1

HCID 54452316HCID 54452316, compound

Sources & evidence

ORD record
ord-776fd8be3fad412abc0c1945bb66bdb0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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