HRID1878334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID85588

2-Fluorophenyl isocyanate

C7H4FNO

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(N)c(F)c3)CC2)c1

HCID66878528

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)Nc4ccccc4F)c(F)c3)CC2)c1

HCID57917627

未命名化合物

收率 9%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

3-((4-(4-Amino-3-fluorobenzoyl)piperazin-1-yl)methyl)-N-tert-butylbenzamide (100 mg, 0.242 mmol) and 2-fluorophenylisocyanate (37 mg, 0.267 mmol) were combined and heated in dichloromethane at 100° C. in the microwave for 10 minutes. The solvent was removed under reduced pressure and the residue purified by acidic reverse phase HPLC to afford the title compound (12 mg).

WORKUP

后处理

customThe solvent was removed under reduced pressure
customthe residue purified by acidic reverse phase HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa5b3adfc4df48a2bb61c3262bb83b17
来源数据集: uspto-grants-2012_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08314091B2
来源说明: uspto-grants-2012_11

反应 SMILES

[NH2:1][C:2]1[CH:29]=[CH:28][C:5]([C:6]([N:8]2[CH2:13][CH2:12][N:11]([CH2:14][C:15]3[CH:16]=[C:17]([CH:25]=[CH:26][CH:27]=3)[C:18]([NH:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:10][CH2:9]2)=[O:7])=[CH:4][C:3]=1[F:30].[F:31][C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][C:33]=1[N:38]=[C:39]=[O:40]>ClCCl>[C:21]([NH:20][C:18](=[O:19])[C:17]1[CH:25]=[CH:26][CH:27]=[C:15]([CH2:14][N:11]2[CH2:12][CH2:13][N:8]([C:6](=[O:7])[C:5]3[CH:28]=[CH:29][C:2]([NH:1][C:39]([NH:38][C:33]4[CH:34]=[CH:35][CH:36]=[CH:37][C:32]=4[F:31])=[O:40])=[C:3]([F:30])[CH:4]=3)[CH2:9][CH2:10]2)[CH:16]=1)([CH3:24])([CH3:23])[CH3:22]