HRID222962

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75646

Cyclopropanemethanamine

C4H9N

HCID424361

4-Aminopiperidine

C5H12N2

结构：CSc1nc(-c2cc(C(=O)O)ccc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

HCID57530530

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NCC2CC2)cc1-c1nc(N2CCC(N)CC2)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID11947937

未命名化合物

PROCEDURE

实验过程

The title compound is prepared from 3-[8-(2,6-difluorophenyl)-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzoic acid by following the procedures in Example 19 using (cyclopropylmethyl)amine for the amide formation and 4-piperidinamine for the displacement reaction: LC-MS m/z 545 (M+H)+, 1.63 min (ret time).

WORKUP

后处理

customfor the displacement reaction
customLC-MS m/z 545 (M+H)+, 1.63 min (ret time)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-105a6f1e06b442cdbb79a9acb8bf8c3e
来源数据集: uspto-grants-2012_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08207176B2
来源说明: uspto-grants-2012_06

反应 SMILES

[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([F:8])[C:3]=1[N:9]1[C:14]2[N:15]=[C:16](SC)[N:17]=[C:18]([C:19]3[CH:20]=[C:21]([CH:25]=[CH:26][C:27]=3[CH3:28])[C:22]([OH:24])=O)[C:13]=2[CH:12]=[CH:11][C:10]1=[O:31].[CH:32]1([CH2:35][NH2:36])[CH2:34][CH2:33]1.[NH:37]1[CH2:42][CH2:41][CH:40]([NH2:43])[CH2:39][CH2:38]1>>[NH2:43][CH:40]1[CH2:41][CH2:42][N:37]([C:16]2[N:17]=[C:18]([C:19]3[CH:20]=[C:21]([CH:25]=[CH:26][C:27]=3[CH3:28])[C:22]([NH:36][CH2:35][CH:32]3[CH2:34][CH2:33]3)=[O:24])[C:13]3[CH:12]=[CH:11][C:10](=[O:31])[N:9]([C:3]4[C:2]([F:1])=[CH:7][CH:6]=[CH:5][C:4]=4[F:8])[C:14]=3[N:15]=2)[CH2:38][CH2:39]1