HRID855457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2723939

1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride

C8H18ClN3

HCID66868563

未命名化合物

结构：CC(C)(C)c1ccc(CNCCc2cccc(C(F)(F)F)c2)cc1

HCID68560440

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2cc(Cl)cc3cc[nH]c23)cc1

HCID11670740

未命名化合物

收率 64%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

167 mg (0.5 mmol) of (4-tert-butyl-benzyl)-[2-(3-trifluoromethyl-phenyl)-ethyl]-amine, 97 mg (0.5 mmol) of 5-chloro-1H-indole-7-carboxylic acid and 115 mg (0.6 mmol) of EDC.HCl were stirred over night at rt in 10 ml DCM. The product was purified by column chromatography (20 silica gel; DCM) to yield 160 mg (64%) product as a white solid. MS (EI) 512.2 (60), 514.2 (25) (M)+.

WORKUP

后处理

customThe product was purified by column chromatography (20 silica gel; DCM)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1489c4c629184757b0c294b3fb1dcbf6
来源数据集: uspto-grants-2007_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07259183B2
来源说明: uspto-grants-2007_08

反应 SMILES

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