HRID1122451

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID27099

Copper(2+)

Cu+2

HCID2737788

4-(Benzyloxy)-3-fluorophenylboronic acid

C13H12BFO3

HCID24728883

4-Bromo-1H-indole-6-carbonitrile

C9H5BrN2

PRODUCTS

生成物

结构：N#Cc1cc(Br)c2ccn(-c3ccc(OCc4ccccc4)c(F)c3)c2c1

HCID67136097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c1ee330d0d94160845b809c9c743e09
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

[Br:1][c:2]1[c:3]2[cH:4][cH:5][nH:6][c:7]2[cH:8][c:9]([C:11]#[N:12])[cH:10]1.[C:41]([O-:42])(=[O:43])[CH3:44].[C:46]([O-:47])(=[O:48])[CH3:49].[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.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[Cl:38][CH2:39][Cl:40].[Cu+2:45]>>[Br:1][c:2]1[c:3]2[cH:4][cH: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