HRID150245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID27099

Copper(2+)

Cu+2

HCID74299

Benzeneboronic acid, p-chloro-

C6H6BClO2

结构：CC(C)(C)OC(=O)Nc1cccc(-n2c(=O)[nH]c3c(N)ncnc32)c1

HCID86691212

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Cl)cc3)c3c(N)ncnc32)c1

HCID86691214

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9c6bf3cad5a4083af38f3b4c63de0c3
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

[C:47]([O-:48])(=[O:49])[CH3:50].[C:52]([O-:53])(=[O:54])[CH3:55].[Cl:26][c:27]1[cH:28][cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1.[Cu+2:51].[NH2:1][c:2]1[c:3]2[nH:4][c:5](=[O:25])[n:6](-[c:11]3[cH:12][c:13]([NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[cH:14][cH:15][cH:16]3)[c:7]2[n:8][cH:9][n:10]1.[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[cH:36]1[cH:37][cH:38][n:39][cH:40][cH:41]1>>[NH2:1][c:2]1[c:3]2[n:4](-[c:30]3[cH:29][cH:28][c:27]([Cl:26])[cH:32][cH:31]3)[c:5](=[O:25])[n:6](-[c:11]3[cH:12][c:13]([NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[cH:14][cH:15][cH:16]3)[c:7]2[n:8][cH:9][n:10]1