HRID203409

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

HCID2773472

4-Isobutylphenylboronic acid

C10H15BO2

结构：CCCc1nc(C)[nH]c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID135427273

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C)n(-c2ccc(CC(C)C)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460650

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbe2e5b119854010bfa2e074c3258616
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:62]([O-:63])(=[O:64])[CH3:65].[C:67]([O-:68])(=[O:69])[CH3:70].[CH2:27]([CH:28]([CH3:29])[CH3:30])[c:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1.[CH2:53]([Cl:54])[Cl:55].[CH3:1][c:2]1[nH:3][c:4](=[O:26])[c:5]([CH2:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[c:6]([CH2:8][CH2:9][CH3:10])[n:7]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cu+2:66].[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[CH3:1][c:2]1[n:3](-[c:34]2[cH:33][cH:32][c:31]([CH2:27][CH:28]([CH3:29])[CH3:30])[cH:36][cH:35]2)[c:4](=[O:26])[c:5]([CH2:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[c:6]([CH2:8][CH2:9][CH3:10])[n:7]1