HRID72501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21863450

未命名化合物

结构：COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Oc4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)C3)CC2)cc1

HCID67958770

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Oc4cccc(N5CCNCC5)c4)C3)CC2)cc1

HCID67958605

未命名化合物

收率 95.3%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

To a cooled solution of tert-butyl 4-(3-((1-(5-chloro-3-((1-(4-(methoxycarbonyl)phenyl)cyclopropyl)carbamoyl)pyridin-2-yl)azetidin-3-yl)oxy)phenyl)piperazine-1-carboxylate (130 mg, 0.196 mmol) in dichloromethane (1 ml) a mixture trifluoroacetic acid/dichloromethane (3 ml/1 ml) was added and the resulting mixture stirred for 15 min. Solvents were evaporated in vacuo to afford a residue that was loaded on SPE-SCX (5 g) cartridge. Ammonia fractions after solvent evaporation afforded the title compound (D156) (105 mg)

WORKUP

后处理

customSolvents were evaporated in vacuo
customto afford a residue that
customAmmonia fractions after solvent evaporation

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f00722bb44845288b29d3403d13c1dc
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08828987B2
来源说明: uspto-grants-2014_09

反应 SMILES

[Cl:1][C:2]1[CH:3]=[C:4]([C:32](=[O:47])[NH:33][C:34]2([C:37]3[CH:42]=[CH:41][C:40]([C:43]([O:45][CH3:46])=[O:44])=[CH:39][CH:38]=3)[CH2:36][CH2:35]2)[C:5]([N:8]2[CH2:11][CH:10]([O:12][C:13]3[CH:14]=[C:15]([N:19]4[CH2:24][CH2:23][N:22](C(OC(C)(C)C)=O)[CH2:21][CH2:20]4)[CH:16]=[CH:17][CH:18]=3)[CH2:9]2)=[N:6][CH:7]=1.FC(F)(F)C(O)=O.ClCCl>ClCCl>[Cl:1][C:2]1[CH:7]=[N:6][C:5]([N:8]2[CH2:11][CH:10]([O:12][C:13]3[CH:18]=[CH:17][CH:16]=[C:15]([N:19]4[CH2:24][CH2:23][NH:22][CH2:21][CH2:20]4)[CH:14]=3)[CH2:9]2)=[C:4]([CH:3]=1)[C:32]([NH:33][C:34]1([C:37]2[CH:42]=[CH:41][C:40]([C:43]([O:45][CH3:46])=[O:44])=[CH:39][CH:38]=2)[CH2:36][CH2:35]1)=[O:47]