HRID955691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

结构：CCOc1ccccc1OCCN(C(=O)OC(C)(C)C)C(C)Cc1cc(C#N)c2c(c1)CCN2C(C)=O

HCID20094358

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccccc1OCCN(C(=O)OC(C)(C)C)C(C)Cc1cc(C#N)c2c(c1)CCN2

HCID20094383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75ebed541e5d4536b203841a7a48dca8
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](=[O:2])([CH3:3])[N:4]1[CH2:5][CH2:6][c:7]2[cH:8][c:9]([CH2:15][CH:16]([CH3:17])[N:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:26][CH2:27][O:28][c:29]3[c:30]([O:35][CH2:36][CH3:37])[cH:31][cH:32][cH:33][cH:34]3)[cH:10][c:11]([C:13]#[N:14])[c:12]21.[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][CH2:43][OH:44]>>[NH:4]1[CH2:5][CH2:6][c:7]2[cH:8][c:9]([CH2:15][CH:16]([CH3:17])[N:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:26][CH2:27][O:28][c:29]3[c:30]([O:35][CH2:36][CH3:37])[cH:31][cH:32][cH:33][cH:34]3)[cH:10][c:11]([C:13]#[N:14])[c:12]21