HRID1234876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID27099

Copper(2+)

Cu+2

HCID2737788

4-(Benzyloxy)-3-fluorophenylboronic acid

C13H12BFO3

HCID24728917

4-Bromo-1H-indazole-6-carbonitrile

C8H4BrN3

PRODUCTS

生成物

结构：N#Cc1cc(Br)c2cnn(-c3ccc(OCc4ccccc4)c(F)c3)c2c1

HCID67244650

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7b31d88249a4bd497786fa2fe7ef62c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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