HRID160999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

2 次

HCID1140

Toluene

C7H8

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID24350

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

CuI

HCID3858030

Perfluoropropanoate

C3F5O2-

HCID13959074

5-Bromo-6-methoxynaphthalene-1-carbonitrile

C12H8BrNO

PRODUCTS

生成物

HCID13959075

6-Methoxy-5-(pentafluoroethyl)naphthalene-1-carbonitrile

C14H8F5NO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4e7dcef573f47a088e713135808d60f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:41]([Cl:42])[Cl:43].[CH3:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:1][O:2][c:3]1[c:4]([Br:15])[c:5]2[cH:6][cH:7][cH:8][c:9]([C:13]#[N:14])[c:10]2[cH:11][cH:12]1.[CH3:23][N:24]([CH3:25])[CH:26]=[O:27].[Cu:39][I:40].[F:28][C:29]([C:30]([C:31]([O-:32])=[O:33])([F:34])[F:35])([F:36])[F:37].[K+:38].[OH2:44].[OH2:45].[c:46]1([CH3:47])[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH3:1][O:2][c:3]1[c:4]([C:30]([C:29]([F:28])([F:36])[F:37])([F:34])[F:35])[c:5]2[cH:6][cH:7][cH:8][c:9]([C:13]#[N:14])[c:10]2[cH:11][cH:12]1