HRID87805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

结构：COc1ccc(CNc2n[nH]c(=O)c3ccc(C#N)cc23)cc1Cl

HCID15524302

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2nn(CC(=O)OC(C)(C)C)c(=O)c3ccc(C#N)cc23)cc1Cl

HCID22004394

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fc7737d36c847779cc494886a8c3140
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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