HRID2312036

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

HCID6328

Methyl iodide

CH3I

HCID19660

Carbonate

CO3-2

结构：C=CCOCC1(c2cccc(C#N)c2)NC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O

HCID67131010

未命名化合物

PRODUCTS

生成物

结构：C=CCOCC1(c2cccc(C#N)c2)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1C

HCID67130990

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7443bfe5094f4898b458128ef28f29fb
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:1](#[N:2])[c:3]1[cH:4][c:5]([C:9]2([CH2:28][O:29][CH2:30][CH:31]=[CH2:32])[NH:10][C:11](=[O:27])[N:12]([c:15]3[cH:16][c:17]([C:23]([F:24])([F:25])[F:26])[c:18]([C:19]#[N:20])[cH:21][cH:22]3)[C:13]2=[O:14])[cH:6][cH:7][cH:8]1.[C:33](=[O:34])([O-:35])[O-:36].[CH3:39][I:40].[K+:37].[K+:38].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:9]2([CH2:28][O:29][CH2:30][CH:31]=[CH2:32])[N:10]([CH3:33])[C:11](=[O:27])[N:12]([c:15]3[cH:16][c:17]([C:23]([F:24])([F:25])[F:26])[c:18]([C:19]#[N:20])[cH:21][cH:22]3)[C:13]2=[O:14])[cH:6][cH:7][cH:8]1