HRID2147995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID19660

Carbonate

CO3-2

结构：C=C(Oc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl)C(=O)OC

HCID70025107

未命名化合物

PRODUCTS

生成物

结构：C=C(Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl)C(=O)OC

HCID22974807

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b4c9ddd1b504cbd873472bc6ae07098
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:30](=[O:31])([O-:32])[O-:33].[C:37](=[O:38])([OH:39])[O-:40].[CH3:1][I:2].[Cl:3][c:4]1[cH:5][c:6]([F:29])[c:7](-[n:17]2[c:18](=[O:28])[nH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][c:22]2=[O:23])[cH:8][c:9]1[O:10][C:11](=[CH2:12])[C:13](=[O:14])[O:15][CH3:16].[ClH:36].[K+:34].[K+:35].[Na+:41].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[Cl:3][c:4]1[cH:5][c:6]([F:29])[c:7](-[n:17]2[c:18](=[O:28])[n:19]([CH3:30])[c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][c:22]2=[O:23])[cH:8][c:9]1[O:10][C:11](=[CH2:12])[C:13](=[O:14])[O:15][CH3:16]