HRID1993712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID62406

未命名化合物

结构：Cc1ccc(-n2nc(C(C)(C)CF)cc2NC(=O)Nc2cnc(N3CCN(C(=O)c4c(F)cccc4F)CC3)c(C)c2)cc1

HCID59134444

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)O.Cc1ccc(-n2nc(C(C)(C)CF)cc2NC(=O)Nc2cnc(N3CCN(C(=O)c4c(F)cccc4F)CC3)c(C)c2)cc1

HCID86624327

未命名化合物

收率 95%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

2 次

PROCEDURE

实验过程

Dissolve 50 mg (0.083 mmol) of the free base 1-{6-[4-(2,6-difluoro-benzoyl)-piperazin-1-yl]-5-methyl-pyridin-3-yl}-3-[5-(2-fluoro-1,1-dimethyl-ethyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea in DCM (0.5 mL). Add 1 equiv of trifluoromethanesulfonic acid in DCM (1 N). After 30 min, remove solvent to afford a white solid. After several washings with ether/DCM, dry the solid under reduced pressure to obtain 55 mg of the title compound (95% yield). ES+(m/z):606 [M+1].

WORKUP

后处理

customremove solvent
customto afford a white solid
washAfter several washings with ether/DCM
customdry the solid under reduced pressure

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a5836cffcc347d890460cb021ff53b3
来源数据集: uspto-grants-2010_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07652015B2
来源说明: uspto-grants-2010_01

反应 SMILES

[F:1][C:2]1[CH:43]=[CH:42][CH:41]=[C:40]([F:44])[C:3]=1[C:4]([N:6]1[CH2:11][CH2:10][N:9]([C:12]2[N:17]=[CH:16][C:15]([NH:18][C:19]([NH:21][C:22]3[N:23]([C:32]4[CH:37]=[CH:36][C:35]([CH3:38])=[CH:34][CH:33]=4)[N:24]=[C:25]([C:27]([CH3:31])([CH3:30])[CH2:28][F:29])[CH:26]=3)=[O:20])=[CH:14][C:13]=2[CH3:39])[CH2:8][CH2:7]1)=[O:5].F[C:46](F)(F)[S:47]([OH:50])(=[O:49])=[O:48]>C(Cl)Cl>[CH3:46][S:47]([OH:50])(=[O:49])=[O:48].[F:44][C:40]1[CH:41]=[CH:42][CH:43]=[C:2]([F:1])[C:3]=1[C:4]([N:6]1[CH2:7][CH2:8][N:9]([C:12]2[N:17]=[CH:16][C:15]([NH:18][C:19]([NH:21][C:22]3[N:23]([C:32]4[CH:37]=[CH:36][C:35]([CH3:38])=[CH:34][CH:33]=4)[N:24]=[C:25]([C:27]([CH3:30])([CH3:31])[CH2:28][F:29])[CH:26]=3)=[O:20])=[CH:14][C:13]=2[CH3:39])[CH2:10][CH2:11]1)=[O:5]