HRID806705

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

HCID3698726

4-Isopropoxyphenylboronic acid

C9H13BO3

结构：CCCc1nc(C)[nH]c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1F

HCID136026943

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C)n(-c2ccc(OC(C)C)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1F

HCID57460393

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38e66d27de984309b4081620da92e71a
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH:28]([CH3:29])([CH3:30])[O:31][c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1.[Cl:69][CH2:70][Cl:71].[Cu+2:64].[F:1][c:2]1[cH:3][c:4](-[c:20]2[c:21]([C:26]#[N:27])[cH:22][cH:23][cH:24][cH:25]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10]([CH2:17][CH2:18][CH3:19])[n:11][c:12]([CH3:16])[nH:13][c:14]1=[O:15].[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[F:1][c:2]1[cH:3][c:4](-[c:20]2[c:21]([C:26]#[N:27])[cH:22][cH:23][cH:24][cH:25]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10]([CH2:17][CH2:18][CH3:19])[n:11][c:12]([CH3:16])[n:13](-[c:35]2[cH:34][cH:33][c:32]([O:31][CH:28]([CH3:29])[CH3:30])[cH:37][cH:36]2)[c:14]1=[O:15]