HRID919041

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID46739666

1-(4-Boronophenyl)cyclopropane-1-carboxylic acid

C10H11BO4

结构：CC(OC(=O)Nc1ccncc1-c1ccc(OS(=O)(=O)C(F)(F)F)cc1)c1ccccc1Cl

HCID86697086

未命名化合物

PRODUCTS

生成物

结构：CC(OC(=O)Nc1ccncc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)c1ccccc1Cl

HCID57336785

未命名化合物

PROCEDURE

实验过程

Prepared according to the procedure described in Example 1, Step 2, using the following starting materials: trifluoro-methanesulfonic acid 4-{4-[1-(2-chloro-phenyl)-ethoxycarbonylamino]-pyridin-3-yl}-phenyl ester and 1-(4-boronophenyl)cyclopropanecarboxylic acid. After workup the crude material was purified via preparatory HPLC to give the title compound.

WORKUP

后处理

customPrepared
customwas purified via preparatory HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcc8cb49b3da443295dde26d5eb7012b
来源数据集: uspto-grants-2016_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09272990B2
来源说明: uspto-grants-2016_03

反应 SMILES

[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH:8]([O:10][C:11]([NH:13][C:14]1[CH:19]=[CH:18][N:17]=[CH:16][C:15]=1[C:20]1[CH:25]=[CH:24][C:23](OS(C(F)(F)F)(=O)=O)=[CH:22][CH:21]=1)=[O:12])[CH3:9].B([C:37]1[CH:42]=[CH:41][C:40]([C:43]2([C:46]([OH:48])=[O:47])[CH2:45][CH2:44]2)=[CH:39][CH:38]=1)(O)O>>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH:8]([O:10][C:11]([NH:13][C:14]1[CH:19]=[CH:18][N:17]=[CH:16][C:15]=1[C:20]1[CH:21]=[CH:22][C:23]([C:37]2[CH:42]=[CH:41][C:40]([C:43]3([C:46]([OH:48])=[O:47])[CH2:45][CH2:44]3)=[CH:39][CH:38]=2)=[CH:24][CH:25]=1)=[O:12])[CH3:9]