HRID955264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID92174

3,3-Dimethyl-1,2-epoxybutane

C6H12O

结构：CCc1cc2c(=O)[nH]c(=O)n(Cc3ccc(-c4ccccc4C#N)cc3)c2s1

HCID59351770

未命名化合物

PRODUCTS

生成物

结构：CCc1cc2c(=O)n(CC(O)C(C)(C)C)c(=O)n(Cc3ccc(-c4ccccc4C#N)cc3)c2s1

HCID59351630

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7abf92a6a4754cb1b22a7266e6d42451
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:29]([CH3:30])([CH3:31])([CH3:32])[CH:33]1[O:34][CH2:35]1.[C:36](=[O:37])([O-:38])[O-:39].[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21]([C:26]#[N:27])[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:8](=[O:12])[nH:9][c:10]2=[O:11])[s:28]1.[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[K+:40].[K+:41].[OH2:47]>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21]([C:26]#[N:27])[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:8](=[O:12])[n:9]([CH2:35][CH:33]([C:29]([CH3:30])([CH3:31])[CH3:32])[OH:34])[c:10]2=[O:11])[s:28]1