HRID331303

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)=C3c2ccc(Cl)cc2)CC1

HCID70314438

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)N1CCN(CCOc2ccc3c(c2)C(=O)C(c2cncnc2)=C3c2ccc(Cl)cc2)CC1

HCID51001833

未命名化合物

收率 50%

PROCEDURE

实验过程

The procedure of Step 7 of Example 1 was repeated except for using 2-bromo-3-(4-chlorophenyl)-6-(2-(4-(methylsulfonyl)piperazin-1-yl)ethoxy)-1H-inden-1-one obtained in Step 1 of Example 53 as a starting material instead of 6-(2-morpholinoethoxy)-2-bromo-3-phenyl-1H-inden-1-one, 5-pyrimidinylboronic acid instead of 3-pyridinylboronic acid, and being purified by prep HPLC (CH3CN/H2O=7:3) to obtain the title compound (50%).

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-585d45f728b64271a643af50b32223e0
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:31])[C:4]2[C:9]([C:10]=1[C:11]1[CH:16]=[CH:15][C:14]([Cl:17])=[CH:13][CH:12]=1)=[CH:8][CH:7]=[C:6]([O:18][CH2:19][CH2:20][N:21]1[CH2:26][CH2:25][N:24]([S:27]([CH3:30])(=[O:29])=[O:28])[CH2:23][CH2:22]1)[CH:5]=2.O1CCN(CCOC2C=C3C(C(C4C=CC=CC=4)=C(Br)C3=O)=CC=2)CC1.[N:58]1[CH:63]=[C:62](B(O)O)[CH:61]=[N:60][CH:59]=1>>[Cl:17][C:14]1[CH:13]=[CH:12][C:11]([C:10]2[C:9]3[C:4](=[CH:5][C:6]([O:18][CH2:19][CH2:20][N:21]4[CH2:22][CH2:23][N:24]([S:27]([CH3:30])(=[O:28])=[O:29])[CH2:25][CH2:26]4)=[CH:7][CH:8]=3)[C:3](=[O:31])[C:2]=2[C:62]2[CH:63]=[N:58][CH:59]=[N:60][CH:61]=2)=[CH:16][CH:15]=1