HRID826315

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCCCc1nc(C(C)O)c(C#N)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

HCID19036235

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(C(C)O)c(C(N)=O)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

HCID19036061

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3adf86e9717849a98808d399c00b643f
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[c:10]1[c:11](-[c:16]2[cH:17][cH:18][c:19]([CH2:22][n:23]3[c:24]([CH2:33][CH2:34][CH2:35][CH3:36])[n:25][c:26]([CH:30]([CH3:31])[OH:32])[c:27]3[C:28]#[N:29])[cH:20][cH:21]2)[cH:12][cH:13][cH:14][cH:15]1.[CH3:38][CH2:39][OH:40].[ClH:37].[Na+:2].[OH-:1]>>[O:1]=[C:28]([c:27]1[n:23]([CH2:22][c:19]2[cH:18][cH:17][c:16](-[c:11]3[c:10]([C:8]([O:7][C:3]([CH3:4])([CH3:5])[CH3:6])=[O:9])[cH:15][cH:14][cH:13][cH:12]3)[cH:21][cH:20]2)[c:24]([CH2:33][CH2:34][CH2:35][CH3:36])[n:25][c:26]1[CH:30]([CH3:31])[OH:32])[NH2:29]