HRID283816

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

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID27099

Copper(2+)

Cu+2

HCID66827

Boronic acid, phenyl-

C6H7BO2

结构：CCCCc1n[nH]c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

HCID14951052

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nn(-c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6d50e1088714f1490985a6ad134e05a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:48]([O-:49])(=[O:50])[CH3:51].[C:53]([O-:54])(=[O:55])[CH3:56].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][nH:7][c:8](=[O:25])[n:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[c:18]([C:23]#[N:24])[cH:19][cH:20][cH:21][cH:22]2)[cH:15][cH:16]1.[CH2:63]([Cl:64])[Cl:65].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cu+2:52].[OH:26][B:27]([OH:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][n:7](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:8](=[O:25])[n:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[c:18]([C:23]#[N:24])[cH:19][cH:20][cH:21][cH:22]2)[cH:15][cH:16]1