HRID1796626

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8764

Benzenamine, 4-phenoxy-

C12H11NO

结构：COC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4OC(C)(C)C(=O)OC(C)(C)C)cc3)c2c1C

HCID22179696

未命名化合物

HCID69327500

未命名化合物

HCID178469451

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1OC

HCID69327453

未命名化合物

收率 50.3%

PROCEDURE

实验过程

The compound 393 was prepared from 0.37 g of crude 4-chloro-3-cyano-5-methoxy-pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester and 4-phenoxy-phenylamine (0.24 g, 1.30 mmol) by a route analogous to that used for the preparation of compound 388D. 0.28 g of 393 was obtained in 49% yield for 3 steps from 393F. LCMS Found: (M+H)+=429.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5c0d5ebf88a477f952185303c181f5b
来源数据集: uspto-grants-2006_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07030112B2
来源说明: uspto-grants-2006_04

反应 SMILES

[CH2:1]([O:3][C:4]([C:6]1[C:7]([O:18][CH3:19])=[C:8]2[C:13](Cl)=[C:12]([C:15]#[N:16])[CH:11]=[N:10][N:9]2[CH:17]=1)=[O:5])[CH3:2].[O:20]([C:27]1[CH:32]=[CH:31][C:30]([NH2:33])=[CH:29][CH:28]=1)[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1.COC(C1C(C)=C2C(NC3C=CC(OC4C=CC=CC=4OC(C(OC(C)(C)C)=O)(C)C)=CC=3)=C(C#N)C=NN2C=1)=O.C(OC(C1C(OC)=C2C(O)=C(C#N)C=NN2C=1)=O)C>>[CH2:1]([O:3][C:4]([C:6]1[C:7]([O:18][CH3:19])=[C:8]2[C:13]([NH:33][C:30]3[CH:29]=[CH:28][C:27]([O:20][C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=4)=[CH:32][CH:31]=3)=[C:12]([C:15]#[N:16])[CH:11]=[N:10][N:9]2[CH:17]=1)=[O:5])[CH3:2]