HRID137764

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)c(F)c1

HCID136203381

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)c(F)c1

HCID57460901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3a52c580e0c4d5abe85b10d3406b0e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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