HRID59921

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3939

Lithium hydroxide anhydrous

HLiO

HCID2723939

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

C8H18ClN3

HCID118366162

未命名化合物

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

HCID118366221

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NCc3cc(C(=O)O)cnc3C)cn2)C1

HCID118366184

未命名化合物

PROCEDURE

实验过程

(R)-5-((2-(3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxamido)methyl)-6-methylnicotinic acid was prepared from (R)-2-(3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxylic acid and ethyl 5-(aminomethyl)-6-methylnicotinate using Amidation Method 2 (EDCl) and Ester Hydrolysis Method 1 (LiOH). 1H NMR (400 MHz, DMSO-d6) δ 9.17 (m, 1H), 8.95 (s, 1H), 8.80 (s, 2H), 8.45 (m, 1H), 7.03 (d, 1H), 6.90 (m, 3H), 4.58 (d, 2H), 4.35 (m, 1H), 4.12 (m, 1H), 3.90 (m, 5H), 2.79 (s, 3H), 2.03 (m, 1H), 1.87 (m, 2H), 1.52 (m, 1H), 1.21 (t, 3H). MS (ES+) 492.2 (M+H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f1ee38596e94f81aee5687f5b66b0f2
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](O)=[O:20])=[CH:15][N:14]=2)[CH2:8]1)[CH3:2].[NH2:26][CH2:27][C:28]1[C:29]([CH3:39])=[N:30][CH:31]=[C:32]([CH:38]=1)[C:33]([O:35]CC)=[O:34].CCN=C=NCCCN(C)C.Cl.[Li+].[OH-]>>[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]([NH:26][CH2:27][C:28]3[C:29]([CH3:39])=[N:30][CH:31]=[C:32]([CH:38]=3)[C:33]([OH:35])=[O:34])=[O:20])=[CH:15][N:14]=2)[CH2:8]1)[CH3:2]