HRID1135332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID28179

Fluoride

F-

HCID73935

Methyl chlorodifluoroacetate

C3H3ClF2O2

结构：COC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1I

HCID66784413

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F

HCID59563486

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47b847d9eca8476cb1f3de1cf879dff2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][O:2][C:3]([c:4]1[c:5]([I:27])[cH:6][c:7]([C:10]2=[N:11][O:12][C:13]([C:15]([F:16])([F:17])[F:18])([c:19]3[cH:20][c:21]([Cl:26])[cH:22][c:23]([Cl:25])[cH:24]3)[CH2:14]2)[cH:8][cH:9]1)=[O:28].[CH3:31][O:32][C:33]([C:34]([F:35])([F:36])[Cl:38])=[O:37].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cu:45][I:46].[F-:29].[K+:30].[OH2:39]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([C:34]([F:29])([F:35])[F:36])[cH:6][c:7]([C:10]2=[N:11][O:12][C:13]([C:15]([F:16])([F:17])[F:18])([c:19]3[cH:20][c:21]([Cl:26])[cH:22][c:23]([Cl:25])[cH:24]3)[CH2:14]2)[cH:8][cH:9]1)=[O:28]