HRID195279

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

HCID2774580

4-Fluoro-3-methylphenylboronic acid

C7H8BFO2

结构：CCCCc1nc(C)[nH]c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID135401222

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(C)n(-c2ccc(F)c(C)c2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460553

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-738fad680796449e94d756d66a43898c
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:61]([O-:62])(=[O:63])[CH3:64].[C:66]([O-:67])(=[O:68])[CH3:69].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH3:27])[nH:8][c:9](=[O:26])[c:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1.[CH2:52]([Cl:53])[Cl:54].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cu+2:65].[F:28][c:29]1[c:30]([CH3:38])[cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1.[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH3:27])[n:8](-[c:32]2[cH:31][c:30]([CH3:38])[c:29]([F:28])[cH:34][cH:33]2)[c:9](=[O:26])[c:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1