HRID189306

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

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

HCID178451637

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2cn(-c3ccc(C#N)cc3)nc2CC1

HCID66930765

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-171aff4236d04e02a38d5afb89e1540b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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