HRID178101

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)c2)NC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O

HCID67130914

未命名化合物

PRODUCTS

生成物

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

HCID67130929

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3218cd3804a9470e8193853a07609f9b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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