HRID59925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2723939

1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride

C8H18ClN3

结构：CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)O)cn2)C1

HCID118366221

未命名化合物

HCID118366266

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NCc3cc(C)cc(C(=O)OC)c3)cn2)C1

HCID131737073

未命名化合物

PROCEDURE

实验过程

Methyl (R)-3-((2-(3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxamido)methyl)-5-methylbenzoate was prepared from (R)-2-(3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxylic acid and methyl 3-(aminomethyl)-5-methylbenzoate hydrochloride using Amidation Method 2 (EDCl).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e6ab76d4b3d42848567006a980d95ff
来源数据集: uspto-grants-2016_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09440949B2
来源说明: uspto-grants-2016_09

反应 SMILES

[CH2:1]([O:3][C:4]1[CH:25]=[CH:24][CH:23]=[CH:22][C:5]=1[O:6][C@@H:7]1[CH2:12][CH2:11][CH2:10][N:9]([C:13]2[N:18]=[CH:17][C:16]([C:19]([OH:21])=O)=[CH:15][N:14]=2)[CH2:8]1)[CH3:2].Cl.[NH2:27][CH2:28][C:29]1[CH:30]=[C:31]([CH:36]=[C:37]([CH3:39])[CH:38]=1)[C:32]([O:34][CH3:35])=[O:33].CCN=C=NCCCN(C)C.Cl>>[CH2:1]([O:3][C:4]1[CH:25]=[CH:24][CH:23]=[CH:22][C:5]=1[O:6][C@@H:7]1[CH2:12][CH2:11][CH2:10][N:9]([C:13]2[N:14]=[CH:15][C:16]([C:19]([NH:27][CH2:28][C:29]3[CH:30]=[C:31]([CH:36]=[C:37]([CH3:39])[CH:38]=3)[C:32]([O:34][CH3:35])=[O:33])=[O:21])=[CH:17][N:18]=2)[CH2:8]1)[CH3:2]