HRID810352

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID12373576

Ethyl 3-bromo-2,2-dimethylpropanoate

C7H13BrO2

结构：CC(C)Oc1ccc(-c2nc(-c3ccc4[nH]ncc4c3)no2)cc1C#N

HCID53247367

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Cn1ncc2cc(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)ccc21

HCID59316793

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f75a066b0b1d4b6d9ed6d273f63db96c
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

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