HRID28862

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：CCn1cc(-c2ccnc3[nH]c(C4=CCN(C(=O)OC(C)(C)C)CC4)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1

HCID68998423

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(-c2ccnc3[nH]c(C4=CCNCC4)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1

HCID58980124

未命名化合物

收率 42%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID31275

1,4-Dioxane

C4H8O2

PROCEDURE

实验过程

1,1-dimethylethyl 4-{4-[1-ethyl-3-(4-{[(phenylamino)carbonyl]amino}phenyl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl}-3,6-dihydro-1(2H)-pyridinecarboxylate (0.362 mmol) was treated with 4N hydrogen chloride in 1,4-dioxane (2 mL). The suspension was stirred vigorously for 2 h, then concentrated under reduced pressure. Purification of the residue by reverse phase HPLC afforded the title compound as a yellow solid (42%). ESMS [M+H]+: 504.4

WORKUP

后处理

concentrationconcentrated under reduced pressure
customPurification of the residue by reverse phase HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d0595b14400459f891d6e4445a8ddfc
来源数据集: uspto-grants-2008_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07419988B2
来源说明: uspto-grants-2008_09

反应 SMILES

[CH2:1]([N:3]1[CH:7]=[C:6]([C:8]2[CH:13]=[CH:12][N:11]=[C:10]3[NH:14][C:15]([C:17]4[CH2:18][CH2:19][N:20](C(OC(C)(C)C)=O)[CH2:21][CH:22]=4)=[CH:16][C:9]=23)[C:5]([C:30]2[CH:35]=[CH:34][C:33]([NH:36][C:37]([NH:39][C:40]3[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=3)=[O:38])=[CH:32][CH:31]=2)=[N:4]1)[CH3:2].Cl>O1CCOCC1>[CH2:1]([N:3]1[CH:7]=[C:6]([C:8]2[CH:13]=[CH:12][N:11]=[C:10]3[NH:14][C:15]([C:17]4[CH2:18][CH2:19][NH:20][CH2:21][CH:22]=4)=[CH:16][C:9]=23)[C:5]([C:30]2[CH:35]=[CH:34][C:33]([NH:36][C:37]([NH:39][C:40]3[CH:41]=[CH:42][CH:43]=[CH:44][CH:45]=3)=[O:38])=[CH:32][CH:31]=2)=[N:4]1)[CH3:2]