HRID2067209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID197884

Morpholine--hydrogen chloride (1/1)

C4H10ClNO

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

HCID11496723

未命名化合物

结构：CCNC(=O)Cn1cc(-c2ccc(C)c(C(=O)c3ccc(Nc4ccc(F)cc4F)cc3Cl)c2)nn1

HCID11598675

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2cn(CC(=O)N3CCOCC3)nn2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl

HCID11512329

未命名化合物

PROCEDURE

实验过程

The reaction was carried out similarly as described in the preparation of compound 112, using compound 111 (0.12 mmol) and morpholine hydrochloride (0.12 mmol). The crude product was purified by continuous gradient flash chromatography using MeOH/EtOAc 0:100 to 5:95 as the eluent to afford the title compound as almost yellow syrup. 13C NMR (CDCl3) δ 196.0, 163.5, 147.9, 147.3, 139.8, 138.0, 135.3, 133.7, 131.9, 129.2, 128.0, 127.7, 126.5, 124.4 (dd), 124.2 (dd), 121.4, 116.3, 112.8, 111.6 (dd), 104.9 (dd), 66.6, 66.4, 50.9, 45.9, 42.6, 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-5a4865f747d84d6fa27f7f1cbeb665d5
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

[Cl:1][C:2]1[CH:27]=[C:26]([NH:28][C:29]2[CH:34]=[CH:33][C:32]([F:35])=[CH:31][C:30]=2[F:36])[CH:25]=[CH:24][C:3]=1[C:4]([C:6]1[CH:7]=[C:8]([C:13]2[N:14]=[N:15][N:16]([CH2:18][C:19]([NH:21][CH2:22][CH3:23])=[O:20])[CH:17]=2)[CH:9]=[CH:10][C:11]=1[CH3:12])=[O:5].ClC1C=C(NC2C=CC(F)=CC=2F)C=C[C:39]=1[C:40](C1C=C(C2N=NN(CC(O)=O)C=2)C=CC=1C)=[O:41].Cl.N1CCOCC1>>[Cl:1][C:2]1[CH:27]=[C:26]([NH:28][C:29]2[CH:34]=[CH:33][C:32]([F:35])=[CH:31][C:30]=2[F:36])[CH:25]=[CH:24][C:3]=1[C:4]([C:6]1[CH:7]=[C:8]([C:13]2[N:14]=[N:15][N:16]([CH2:18][C:19]([N:21]3[CH2:39][CH2:40][O:41][CH2:23][CH2:22]3)=[O:20])[CH:17]=2)[CH:9]=[CH:10][C:11]=1[CH3:12])=[O:5]