HRID86622

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：CCCCc1nc(C)[nH]c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1F

HCID136026991

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(C)n(-c2ccccc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1F

HCID57460537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59b7170b35004c77a94688719f4c7478
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH3:28])[nH:8][c:9](=[O:27])[c:10]1[CH2:11][c:12]1[c:13]([F:26])[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.[CH2:51]([Cl:52])[Cl:53].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cu+2:64].[OH:29][B:30]([OH:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH3:28])[n:8](-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:9](=[O:27])[c:10]1[CH2:11][c:12]1[c:13]([F:26])[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