HRID1193169

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5105623

2-(2-thienyl)benzoic acid

C11H8O2S

HCID67086603

2-Fluoro-6-(2-pyrimidinyl)benzoic acid

C11H7FN2O2

2 次

HCID68156939

未命名化合物

结构：Cc1cc(N2C[C@@H]3CCNC[C@@H]32)nc(C(F)(F)F)n1

HCID68156957

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-c4ncccn4)C[C@@H]32)nc(C(F)(F)F)n1

HCID52919936

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in a manner analogous to Example 1, substituting (1R,6S)-[8-(6-methyl-2-trifluoromethyl-pyrimidin-4-yl)-3,8-diaza-bicyclo[4.2.0]octane (Intermediate 9) for (1R,6S)8-(4,6-dimethyl-pyrimidin-2-yl)-3,8-diaza-bicyclo[4.2.0]octane and 2-fluoro-6-(pyrimidin-2-yl)benzoic acid (Intermediate 48) for 2-thiophen-2-yl-benzoic acid. MS (ESI) mass calcd. For C23H20F4N6O, 472.45; m/z found 473.0 [M+H]+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4423b3fb188e4c5ebc1ee1d011f43f5c
来源数据集: uspto-grants-2014_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08680275B2
来源说明: uspto-grants-2014_03

反应 SMILES

[CH3:1][C:2]1[N:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[N:5]=[C:4]([N:12]2[C@@H:19]3[C@@H:14]([CH2:15][CH2:16][NH:17][CH2:18]3)[CH2:13]2)[CH:3]=1.CC1C=C(C)N=C(N2[C@@H]3[C@@H](CCNC3)C2)N=1.[F:36][C:37]1[CH:45]=[CH:44][CH:43]=[C:42]([C:46]2[N:51]=[CH:50][CH:49]=[CH:48][N:47]=2)[C:38]=1[C:39](O)=[O:40].S1C=CC=C1C1C=CC=CC=1C(O)=O>>[F:36][C:37]1[CH:45]=[CH:44][CH:43]=[C:42]([C:46]2[N:47]=[CH:48][CH:49]=[CH:50][N:51]=2)[C:38]=1[C:39]([N:17]1[CH2:16][CH2:15][C@@H:14]2[C@@H:19]([N:12]([C:4]3[CH:3]=[C:2]([CH3:1])[N:7]=[C:6]([C:8]([F:10])([F:9])[F:11])[N:5]=3)[CH2:13]2)[CH2:18]1)=[O:40]