HRID96170

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(c2ccccc2)NC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O

HCID67131045

未命名化合物

PRODUCTS

生成物

结构：C=CCOCC1(c2ccccc2)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1C

HCID67131041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d60528cfbad40b09ef783dd3a05d4d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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