HRID331300

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2795193

5-Pyrimidinylboronic acid

C4H5BN2O2

结构：O=C1C(Br)=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc21

HCID70307620

未命名化合物

结构：CS(=O)(=O)N1CCN(CCOc2ccc3c(c2)C(=O)C(Br)=C3c2cc(F)cc(F)c2)CC1

HCID70310094

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)N1CCN(CCOc2ccc3c(c2)C(=O)C(c2cncnc2)=C3c2cc(F)cc(F)c2)CC1

HCID70312797

未命名化合物

收率 34%

PROCEDURE

实验过程

The procedure of Step 7 of Example 1 was repeated except for using 2-bromo-3-(3,5-difluorophenyl)-6-[2-(4-(methylsulfonyl)piperazin-1-yl)ethoxy]-1H-inden-1-one obtained in Step 1 of Example 50 as a starting material instead of 6-(2-morpholinoethoxy)-2-bromo-3-phenyl-1H-inden-1-one, and 5-pyrimidinylboronic acid instead of 3-pyridinylboronic acid, and being purified by prep HPLC (CH3CN/H2O=7:3) to obtain the title compound (34%).

WORKUP

后处理

custombeing purified by prep HPLC (CH3CN/H2O=7:3)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b19aa00c876494593cc826b6c5833dc
来源数据集: uspto-grants-2014_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08877747B2
来源说明: uspto-grants-2014_11

反应 SMILES

Br[C:2]1[C:3](=[O:32])[C:4]2[C:9]([C:10]=1[C:11]1[CH:16]=[C:15]([F:17])[CH:14]=[C:13]([F:18])[CH:12]=1)=[CH:8][CH:7]=[C:6]([O:19][CH2:20][CH2:21][N:22]1[CH2:27][CH2:26][N:25]([S:28]([CH3:31])(=[O:30])=[O:29])[CH2:24][CH2:23]1)[CH:5]=2.O1CCN(CCOC2C=C3C(C(C4C=CC=CC=4)=C(Br)C3=O)=CC=2)CC1.[N:59]1[CH:64]=[C:63](B(O)O)[CH:62]=[N:61][CH:60]=1>>[F:17][C:15]1[CH:16]=[C:11]([C:10]2[C:9]3[C:4](=[CH:5][C:6]([O:19][CH2:20][CH2:21][N:22]4[CH2:23][CH2:24][N:25]([S:28]([CH3:31])(=[O:29])=[O:30])[CH2:26][CH2:27]4)=[CH:7][CH:8]=3)[C:3](=[O:32])[C:2]=2[C:63]2[CH:64]=[N:59][CH:60]=[N:61][CH:62]=2)[CH:12]=[C:13]([F:18])[CH:14]=1