HRID2067196

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccc(-c2cn(CCCOC3CCCCO3)nn2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl

HCID11548643

未命名化合物

结构：Cc1ccc(-c2cn(CCO)nn2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl

HCID11612479

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2cn(CCCO)nn2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl

HCID11705730

未命名化合物

PROCEDURE

实验过程

The reaction was carried out similarly as described in the preparation of compound 102, using compound 103 (0.2 mmol). The crude product was purified by continuous gradient flash chromatography using EtOAc/petroleum ether (40-60) 50:50 to 100:0 as the eluent to afford the title compound as colourless foam. 13C NMR (CDCl3) δ 196.1, 159.2 (dd), 155.6 (dd), 148.0, 146.9, 139.9, 137.7, 135.3, 133.8, 131.9, 129.1, 128.0, 127.9, 126.4, 124.5 (dd), 124.3 (dd), 120.3, 116.3, 112.8, 111.6 (dd), 104.9 (dd), 58.8, 47.0, 32.6, 20.2

WORKUP

后处理

customThe crude product was purified by continuous gradient flash chromatography

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da3db75c22f348308e061f76759cc001
来源数据集: uspto-grants-2012_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08293772B2
来源说明: uspto-grants-2012_10

反应 SMILES

ClC1C=C(NC2C=CC(F)=CC=2F)C=CC=1C(C1C=C(C2N=NN(CCO)C=2)C=CC=1C)=O.[Cl:34][C:35]1[CH:40]=[C:39]([NH:41][C:42]2[CH:47]=[CH:46][C:45]([F:48])=[CH:44][C:43]=2[F:49])[CH:38]=[CH:37][C:36]=1[C:50]([C:52]1[CH:57]=[C:56]([C:58]2[N:59]=[N:60][N:61]([CH2:63][CH2:64][CH2:65][O:66]C3CCCCO3)[CH:62]=2)[CH:55]=[CH:54][C:53]=1[CH3:73])=[O:51]>>[Cl:34][C:35]1[CH:40]=[C:39]([NH:41][C:42]2[CH:47]=[CH:46][C:45]([F:48])=[CH:44][C:43]=2[F:49])[CH:38]=[CH:37][C:36]=1[C:50]([C:52]1[CH:57]=[C:56]([C:58]2[N:59]=[N:60][N:61]([CH2:63][CH2:64][CH2:65][OH:66])[CH:62]=2)[CH:55]=[CH:54][C:53]=1[CH3:73])=[O:51]