HRID340035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9973

Benzoic acid, 4-fluoro-

C7H5FO2

结构：Oc1cc(CC(F)(F)F)c(-c2ccc3c(-c4nc5c([nH]4)CCNC5)n[nH]c3c2)cc1F

HCID178516038

未命名化合物

PRODUCTS

生成物

结构：CCNCC.O=C(c1ccc(F)cc1)N1CCc2[nH]c(-c3n[nH]c4cc(-c5cc(F)c(O)cc5CC(F)(F)F)ccc34)nc2C1

HCID178464444

未命名化合物

收率 63.3%

PROCEDURE

实验过程

The title compound was prepared from 4-fluoro-benzoic acid (24 mg, 168 μmol) and 2-fluoro-4-[3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-(2,2,2-trifluoro-ethyl)-phenol (Preparation 39, 100 mg, 168 μmol) using the method of Example 8. The crude material was purified by HPLC Method A to afford 33.3 mg of the title compound.

WORKUP

后处理

customThe crude material was purified by HPLC Method A

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0a8e04be6e542b782dfb1316eb7f4e4
来源数据集: uspto-grants-2014_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08895544B2
来源说明: uspto-grants-2014_11

反应 SMILES

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