HRID404000

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID136198

2-Bromo-5-nitrobenzotrifluoride

C7H3BrF3NO2

结构：COC(=O)[C@H](C(C)C)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1=O

HCID123866646

未命名化合物

结构：COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc([N+](=O)[O-])cn3)cc2C1=O

HCID131731547

未命名化合物

PRODUCTS

生成物

结构：COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2C1=O

HCID131731555

未命名化合物

收率 85%

AUXILIARIES

试剂、催化剂与溶剂

结构：Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1

催化剂HCID178418228

未命名化合物

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

The compound of example 413 was prepared analogous to the compound of example 391 by reaction of the compound of example 390, 1-bromo-4-nitro-2-(trifluoromethyl)benzene and Pd(dppf)Cl2: CH2Cl2.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b122e9793f8247198e3c59a167f592bd
来源数据集: uspto-grants-2014_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08748426B2
来源说明: uspto-grants-2014_06

反应 SMILES

[CH3:1][CH:2]([CH3:27])[C@H:3]([N:8]1[CH2:16][C:15]2[C:10](=[CH:11][C:12]([C:17]3[CH:22]=[CH:21][C:20]([N+:23]([O-:25])=[O:24])=[CH:19]N=3)=[CH:13][CH:14]=2)[C:9]1=[O:26])[C:4]([O:6][CH3:7])=[O:5].CC(C)[C@H](N1CC2C(=CC(B3OC(C)(C)C(C)(C)O3)=CC=2)C1=O)C(OC)=O.BrC1C=CC([N+]([O-])=O)=C[C:57]=1[C:65]([F:68])([F:67])[F:66]>C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].C(Cl)Cl>[CH3:1][CH:2]([CH3:27])[C@H:3]([N:8]1[CH2:16][C:15]2[C:10](=[CH:11][C:12]([C:17]3[CH:22]=[CH:21][C:20]([N+:23]([O-:25])=[O:24])=[CH:19][C:57]=3[C:65]([F:68])([F:67])[F:66])=[CH:13][CH:14]=2)[C:9]1=[O:26])[C:4]([O:6][CH3:7])=[O:5]