HRID2144663

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15292

4,6-Dichloro-o-cresol

C7H6Cl2O

HCID19660

Carbonate

CO3-2

结构：CCC(CC)c1ccc(C(F)(F)F)c2nc(Cl)n(C)c12

HCID67272870

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1ccc(C(F)(F)F)c2nc(Oc3c(C)cc(Cl)cc3Cl)n(C)c12

HCID58012364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9598013376024aadaaa9ab9919c63da4
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:31](=[O:32])([O-:33])[O-:34].[C:37](=[O:38])([OH:39])[O-:40].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[Cl:1][c:2]1[n:3][c:4]2[c:5]([n:6]1[CH3:7])[c:8]([CH:16]([CH2:17][CH3:18])[CH2:19][CH3:20])[cH:9][cH:10][c:11]2[C:12]([F:13])([F:14])[F:15].[Cl:21][c:22]1[cH:23][c:24]([CH3:30])[c:25]([OH:29])[c:26]([Cl:28])[cH:27]1.[K+:35].[K+:36].[Na+:41]>>[c:2]1([O:29][c:25]2[c:24]([CH3:30])[cH:23][c:22]([Cl:21])[cH:27][c:26]2[Cl:28])[n:3][c:4]2[c:5]([n:6]1[CH3:7])[c:8]([CH:16]([CH2:17][CH3:18])[CH2:19][CH3:20])[cH:9][cH:10][c:11]2[C:12]([F:13])([F:14])[F:15]