HRID2104979

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734309

2-Acetylphenylboronic acid

C8H9BO3

结构：CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(-c3noc(C)n3)cc2)c2nc(Br)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID68813809

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(-c3noc(C)n3)cc2)c2nc(-c3ccccc3C(C)=O)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID68812990

未命名化合物

PROCEDURE

实验过程

According to the procedure for Intermediate 93.4, Intermediate 66.3 was coupled with 2-acetylphenylboronic acid to afford Intermediate 111.1.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05c2d038cf2e4d9b80a2664c3ef8859f
来源数据集: uspto-grants-2009_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07576098B2
来源说明: uspto-grants-2009_08

反应 SMILES

Br[C:2]1[N:3]=[C:4]([CH:26]([C:40]2[CH:45]=[C:44]([O:46][CH2:47][CH3:48])[CH:43]=[C:42]([O:49][CH:50]([CH3:52])[CH3:51])[C:41]=2[F:53])[NH:27][C:28]2[CH:33]=[CH:32][C:31]([C:34]3[N:38]=[C:37]([CH3:39])[O:36][N:35]=3)=[CH:30][CH:29]=2)[N:5]([C:7]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[CH:6]=1.[C:54]([C:57]1[CH:62]=[CH:61][CH:60]=[CH:59][C:58]=1B(O)O)(=[O:56])[CH3:55]>>[CH2:47]([O:46][C:44]1[CH:43]=[C:42]([O:49][CH:50]([CH3:52])[CH3:51])[C:41]([F:53])=[C:40]([CH:26]([NH:27][C:28]2[CH:29]=[CH:30][C:31]([C:34]3[N:38]=[C:37]([CH3:39])[O:36][N:35]=3)=[CH:32][CH:33]=2)[C:4]2[N:5]([C:7]([C:8]3[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=3)([C:14]3[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=3)[C:20]3[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=3)[CH:6]=[C:2]([C:58]3[CH:59]=[CH:60][CH:61]=[CH:62][C:57]=3[C:54](=[O:56])[CH3:55])[N:3]=2)[CH:45]=1)[CH3:48]