HRID2114771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67326

Benzenemethanamine, 4-fluoro-

C7H8FN

反应SMILES：COC(=O)c1nc(C2CCc3ccccc3N2C(=O)c2ccccn2)n(C)c(=O)c1OC(=O)c1ccccc1

HCID17961698

未命名化合物

PRODUCTS

产物

反应SMILES：Cn1c(C2CCc3ccccc3N2C(=O)c2ccccn2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

HCID54708375

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

Dimethylformamide

C3H7NO

CONDITIONS

反应条件

温度: 90 °C

PROCEDURE

实验过程

The residue of Step 2 was dissolved in DMF and 4-fluorobenzylamine (3 eq.) was added. The reaction mixture was stirred at 90° C. for 1 H. The title compound was purified by preparative HPLC and isolated as its trifluoroacetic salt (C18, gradient of CH3CN/H2O+0.01% TFA).

WORKUP

后处理

customThe title compound was purified by preparative HPLC
customisolated as its trifluoroacetic salt (C18, gradient of CH3CN/H2O+0.01% TFA)

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-82e81941485e4d5f83cc3c7db8111569
来源数据集: uspto-grants-2008_10
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US07435734B2
来源说明: uspto-grants-2008_10

反应SMILES

C([O:9][C:10]1[C:15](=[O:16])[N:14]([CH3:17])[C:13]([CH:18]2[CH2:27][CH2:26][C:25]3[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=3)[N:19]2[C:28]([C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][N:31]=2)=[O:29])=[N:12][C:11]=1[C:36](OC)=[O:37])(=O)C1C=CC=CC=1.[F:40][C:41]1[CH:48]=[CH:47][C:44]([CH2:45][NH2:46])=[CH:43][CH:42]=1>CN(C=O)C>[F:40][C:41]1[CH:48]=[CH:47][C:44]([CH2:45][NH:46][C:36]([C:11]2[N:12]=[C:13]([CH:18]3[CH2:27][CH2:26][C:25]4[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=4)[N:19]3[C:28]([C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][N:31]=3)=[O:29])[N:14]([CH3:17])[C:15](=[O:16])[C:10]=2[OH:9])=[O:37])=[CH:43][CH:42]=1