HRID248496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID800521

1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C12H9F2NO3

结构：O=S(=O)(c1ccccc1)n1cc(C2CNCCN2)c2ccccc21

HCID19763551

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)C3)cc21

HCID19763607

未命名化合物

收率 84.5%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID1049

Pyridine

C5H5N

CONDITIONS

反应条件

温度: 95 °C

PROCEDURE

实验过程

30 A mixture of 4.092 g of 1-{phenylsulfonyl)-3-(2-piperazinyl)-1H-indole and 1.012 g of 1-ethyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid in 5 ml of pyridine was heated at 95° C. for 3 hours, then cooled and the solid collected, washed with methanol and ether, giving 1.94 g of 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-[3-[1-(phenylsulfonyl)-1H-indol-3-yl]-1-piperazinyl]-3-quinolinecarboxylic acid.

WORKUP

后处理

temperaturecooled
customthe solid collected
washwashed with methanol and ether

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2114f8b4d9cd441388b5322ead39f911
来源数据集: uspto-grants-1993_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05210193
来源说明: uspto-grants-1993_05

反应 SMILES

[C:1]1([S:7]([N:10]2[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=3)[C:12]([CH:19]3[CH2:24][NH:23][CH2:22][CH2:21][NH:20]3)=[CH:11]2)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH2:25]([N:27]1[C:36]2[C:31](=[CH:32][C:33]([F:38])=[C:34](F)[CH:35]=2)[C:30](=[O:39])[C:29]([C:40]([OH:42])=[O:41])=[CH:28]1)[CH3:26]>N1C=CC=CC=1>[CH2:25]([N:27]1[C:36]2[C:31](=[CH:32][C:33]([F:38])=[C:34]([N:23]3[CH2:22][CH2:21][NH:20][CH:19]([C:12]4[C:13]5[C:18](=[CH:17][CH:16]=[CH:15][CH:14]=5)[N:10]([S:7]([C:1]5[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=5)(=[O:9])=[O:8])[CH:11]=4)[CH2:24]3)[CH:35]=2)[C:30](=[O:39])[C:29]([C:40]([OH:42])=[O:41])=[CH:28]1)[CH3:26]