HRID512519

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21927776

6-(Bromomethyl)pyridine-3-carbonitrile

C7H5BrN2

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)cn1

HCID86711568

未命名化合物

PROCEDURE

实验过程

Example 40 is prepared as described for example 2.1, substituting benzyl bromide with 6-bromomethyl-nicotinonitrile and substituting preparation 5 with preparation 39a. ESI mass spectrum: [M+H]+=563; Retention time HPLC: 0.99 min (Z018_S04).

WORKUP

后处理

customExample 40 is prepared
custompreparation 5
custom0.99 min (Z018_S04)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72bbe8dfcf944a0cbc2e31e692c0fc87
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])=[CH:5][N:4]=1.[CH3:11][S:12]([C:15]1[CH:41]=[CH:40][C:18]([CH2:19][NH:20][C:21]([C:23]2[C:28](=[O:29])[C:27]([C:30]3[CH:35]=[CH:34][CH:33]=[C:32]([CH:36]([F:38])[F:37])[CH:31]=3)=[C:26]([CH3:39])[NH:25][CH:24]=2)=[O:22])=[CH:17][CH:16]=1)(=[O:14])=[O:13]>>[CH3:11][S:12]([C:15]1[CH:16]=[CH:17][C:18]([CH2:19][NH:20][C:21]([C:23]2[C:28](=[O:29])[C:27]([C:30]3[CH:35]=[CH:34][CH:33]=[C:32]([CH:36]([F:37])[F:38])[CH:31]=3)=[C:26]([CH3:39])[N:25]([CH2:2][C:3]3[CH:10]=[CH:9][C:6]([C:7]#[N:8])=[CH:5][N:4]=3)[CH:24]=2)=[O:22])=[CH:40][CH:41]=1)(=[O:14])=[O:13]