4-Aminopyridine → 2-{2-[7-Chloro-2-oxo-6-(3-pyridin-4-yl-ureido)-3-thiophen-2-yl-1,2-dihydroquinolin-4-yloxy]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester

HRID 88796

Reaction equation

HRID 88796 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:14][CH2:15][O:16][c:17]2[c:18](-[c:30]3[s:31][cH:32][cH:33][cH:34]3)[c:19](=[O:29])[nH:20][c:21]3[cH:22][c:23]([Cl:28])[c:24]([NH2:27])[cH:25][c:26]23)[CH2:10][CH2:11][CH2:12][CH2:13]1.[CH2:53]([Cl:54])[Cl:55].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cl:35][C:36]([Cl:37])=[O:38].[NH2:46][c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:14][CH2:15][O:16][c:17]2[c:18](-[c:30]3[s:31][cH:32][cH:33][cH:34]3)[c:19](=[O:29])[nH:20][c:21]3[cH:22][c:23]([Cl:28])[c:24]([NH:27][C:36](=[O:38])[NH:46][c:47]4[cH:48][cH:49][n:50][cH:51][cH:52]4)[cH:25][c:26]23)[CH2:10][CH2:11][CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 17274-AminopyridineHCID 6344DichloromethaneHCID 6371PhosgeneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 536679102-[2-(6-Amino-7-chloro-2-oxo-3-thiophen-2-yl-1,2-dihydroquinolin-4-yloxy)-ethyl]-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 539673912-{2-[7-Chloro-2-oxo-6-(3-pyridin-4-yl-ureido)-3-thiophen-2-yl-1,2-dihydroquinolin-4-yloxy]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-ef7cedd16c8a4c5eaee81e50885a5684
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…