HRID512518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2778466

4-(bromomethyl)-2-fluorobenzonitrile

C8H5BrFN

结构：Cc1[nH]cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)c1-c1cccc(C(F)F)c1

HCID86711567

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cn1Cc1ccc(C#N)c(F)c1

HCID86711566

未命名化合物

PROCEDURE

实验过程

Example 39 is prepared as described for example 2.1, substituting benzyl bromide with 4-bromomethyl-2-fluoro-benzonitrile and substituting preparation 5 with preparation 39a. ESI mass spectrum: [M+H]+=580; Retention time HPLC: 1.03 min (Z018_S04).

WORKUP

后处理

customExample 39 is prepared
custompreparation 5
custom1.03 min (Z018_S04)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98ecf8759aba4b73960a6037dea6739e
来源数据集: uspto-grants-2015_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09102624B2
来源说明: uspto-grants-2015_08

反应 SMILES

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