HRID2318501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7864

Chloromethyl methyl ether

C2H5ClO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CCCCc1c(Cc2c(F)cc(-c3ccccc3C#N)cc2F)c(=O)[nH]c2ncnn12

HCID136337140

未命名化合物

PRODUCTS

生成物

结构：CCCCc1c(Cc2c(F)cc(-c3ccccc3C#N)cc2F)c(=O)n(COC)c2ncnn12

HCID67009379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21d1a495ff8f4cb18f1e91e17a0a9af7
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:36](=[O:37])([O-:38])[O-:39].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:15][c:16]2[c:17]([F:31])[cH:18][c:19](-[c:23]3[c:24]([C:29]#[N:30])[cH:25][cH:26][cH:27][cH:28]3)[cH:20][c:21]2[F:22])[c:7](=[O:14])[nH:8][c:9]2[n:10]1[n:11][cH:12][n:13]2.[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl:32][CH2:33][O:34][CH3:35].[K+:40].[K+:41]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:15][c:16]2[c:17]([F:31])[cH:18][c:19](-[c:23]3[c:24]([C:29]#[N:30])[cH:25][cH:26][cH:27][cH:28]3)[cH:20][c:21]2[F:22])[c:7](=[O:14])[n:8]([CH2:33][O:34][CH3:35])[c:9]2[n:10]1[n:11][cH:12][n:13]2