HRID1727738

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CN(C)C(=O)Nc1ccc(-c2nn(C)cc2-c2ccnc3[nH]c(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cc23)cc1

HCID68999050

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)Nc1ccc(-c2nn(C)cc2-c2ccnc3[nH]c(-c4cnc(N5CCNCC5)nc4)cc23)cc1

HCID58980065

未命名化合物

收率 43%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

To a solution of 1,1-dimethylethyl 4-(5-{4-[3-(4-{[(dimethylamino)carbonyl]amino}phenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl}-2-pyrimidinyl)-1-piperazinecarboxylate (0.0883 mmol) in dichloromethane (20 ml) was added trifluoroacetic acid (1 ml) and the resulting solution stirred at room temperature for 4 hours. Concentration and purification by reverse-phase HPLC provided the title compound as a yellow solid (43%). ESMS [M+H]+: 523.2

WORKUP

后处理

concentrationConcentration and purification by reverse-phase HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f46d8619e064a878077da2f7e3f253c
来源数据集: uspto-grants-2009_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07495102B2
来源说明: uspto-grants-2009_02

反应 SMILES

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