HRID2099322

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID76283

Ethyl isocyanatoacetate

C5H7NO3

结构：COc1c(N2CC(C)NC(C)C2)c(F)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3Cl)cn(C3CC3)c12

HCID66859962

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CNC(=O)N1C(C)CN(c2c(F)cc3c(=O)c(C(=O)NCc4ccc(Cl)cc4Cl)cn(C4CC4)c3c2OC)CC1C

HCID68976051

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

100 mg (0.18 mmol) of the compound from Example 39A are added to a solution of 25 mg (0.22 mmol) of ethyl isocyanatoacetate in 5 ml of dichloromethane. The reaction mixture is stirred at RT overnight. After the removal of the solvent on a rotary evaporator, the residue is purified by RP-HPLC (method 6). 73 mg (59% of theory) of the title compound are obtained.

WORKUP

后处理

customAfter the removal of the solvent
customon a rotary evaporator
customthe residue is purified by RP-HPLC (method 6)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f74f1d042d284c309efeb6ae025bfe4e
来源数据集: uspto-grants-2009_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07569563B2
来源说明: uspto-grants-2009_08

反应 SMILES

[CH:1]1([N:4]2[C:13]3[C:8](=[CH:9][C:10]([F:24])=[C:11]([N:16]4[CH2:21][CH:20]([CH3:22])[NH:19][CH:18]([CH3:23])[CH2:17]4)[C:12]=3[O:14][CH3:15])[C:7](=[O:25])[C:6]([C:26]([NH:28][CH2:29][C:30]3[CH:35]=[CH:34][C:33]([Cl:36])=[CH:32][C:31]=3[Cl:37])=[O:27])=[CH:5]2)[CH2:3][CH2:2]1.[N:38]([CH2:41][C:42]([O:44][CH2:45][CH3:46])=[O:43])=[C:39]=[O:40]>ClCCl>[CH2:45]([O:44][C:42](=[O:43])[CH2:41][NH:38][C:39]([N:19]1[CH:18]([CH3:23])[CH2:17][N:16]([C:11]2[C:12]([O:14][CH3:15])=[C:13]3[C:8]([C:7](=[O:25])[C:6]([C:26]([NH:28][CH2:29][C:30]4[CH:35]=[CH:34][C:33]([Cl:36])=[CH:32][C:31]=4[Cl:37])=[O:27])=[CH:5][N:4]3[CH:1]3[CH2:3][CH2:2]3)=[CH:9][C:10]=2[F:24])[CH2:21][CH:20]1[CH3:22])=[O:40])[CH3:46]