HRID940871

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID8071

未命名化合物

结构：CCOc1ncc(C)c2c1C(c1ccc(C#N)cc1OC)C(C(=O)OCCC#N)=C(C)N2

HCID68600597

2-Cyanoethyl 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate

C24H24N4O4

PRODUCTS

生成物

结构：CCOc1ncc(C)c2c1C(c1ccc(C#N)cc1OC)C(C(=O)O)=C(C)N2

HCID59349656

4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-1,4-dihydro-2,8-dimethyl-1,6-naphthyridine-3-carboxylic acid

C21H21N3O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-676426016bcf4fb9ba05c51c615be4eb
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]([O:31][CH3:32])[c:6]([CH:9]2[C:10]([C:24](=[O:25])[O:26][CH2:27][CH2:28][C:29]#[N:30])=[C:11]([CH3:23])[NH:12][c:13]3[c:14]([CH3:22])[cH:15][n:16][c:17]([O:19][CH2:20][CH3:21])[c:18]32)[cH:7][cH:8]1.[CH3:35][CH2:36][O:37][CH2:38][CH3:39].[CH3:42][O:43][CH2:44][CH2:45][O:46][CH3:47].[ClH:40].[Na+:34].[OH-:33].[OH2:41]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([O:31][CH3:32])[c:6]([CH:9]2[C:10]([C:24](=[O:25])[OH:26])=[C:11]([CH3:23])[NH:12][c:13]3[c:14]([CH3:22])[cH:15][n:16][c:17]([O:19][CH2:20][CH3:21])[c:18]32)[cH:7][cH:8]1