HRID2322168

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：CCCc1nc(C(C)(C)O)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2C(=O)NC(C)(C)C)cc1

HCID19036152

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C(C)(C)O)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2C#N)cc1

HCID15461993

Ethyl 1-[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]-4-(1-hydroxy-1-methylethyl)-2-propyl-1H-imidazole-5-carboxylate

C26H29N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-959dbd8cdfd643d19744d23b7a0a3b2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:7]([CH3:9])([CH3:10])([NH:11][C:12](=[O:8])[c:14]1[c:15](-[c:20]2[cH:21][cH:22][c:23]([CH2:26][n:27]3[c:28]([CH2:41][CH2:42][CH3:43])[n:29][c:30]([C:37]([CH3:38])([CH3:39])[OH:40])[c:31]3[C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:24][cH:25]2)[cH:16][cH:17][cH:18][cH:19]1)[CH3:13].[CH2:44]([Cl:45])[Cl:46].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Na+:47].[OH:48][C:49](=[O:50])[O-:51]>>[N:11]#[C:12][c:14]1[c:15](-[c:20]2[cH:21][cH:22][c:23]([CH2:26][n:27]3[c:28]([CH2:41][CH2:42][CH3:43])[n:29][c:30]([C:37]([CH3:38])([CH3:39])[OH:40])[c:31]3[C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:24][cH:25]2)[cH:16][cH:17][cH:18][cH:19]1