HRID2130028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID674

Dimethylamine

C2H7N

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CCOC(=O)c1ccc(-n2cc(C#N)c3cc(C(=O)O)ccc32)cc1

HCID58437256

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(-n2cc(C#N)c3cc(C(=O)N(C)C)ccc32)cc1

HCID58437289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d18a57e3984e45169d9230187c662e3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8](-[n:11]2[cH:12][c:13]([C:23]#[N:24])[c:14]3[cH:15][c:16]([C:20](=[O:21])[OH:22])[cH:17][cH:18][c:19]23)[cH:9][cH:10]1)=[O:25].[CH3:27][NH:28][CH3:29].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:38][N:39]([CH3:40])[c:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1.[Cl:47][CH2:48][Cl:49].[ClH:26].[ClH:37]>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8](-[n:11]2[cH:12][c:13]([C:23]#[N:24])[c:14]3[cH:15][c:16]([C:20](=[O:21])[N:28]([CH3:27])[CH3:29])[cH:17][cH:18][c:19]23)[cH:9][cH:10]1)=[O:25]