HRID2312434

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

HCID3382467

3-Chloro-4-isopropoxyphenylboronic acid

C9H12BClO3

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(OC(C)C)c(Cl)c2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bed3b968f0e444f4936fa2c9c69f1ae9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:63]([O-:64])(=[O:65])[CH3:66].[C:68]([O-:69])(=[O:70])[CH3:71].[CH2:54]([Cl:55])[Cl:56].[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.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cl:27][c:28]1[cH:29][c:30]([B:38]([OH:39])[OH:40])[cH:31][cH:32][c:33]1[O:34][CH:35]([CH3:36])[CH3:37].[Cu+2:67].[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[CH3:1][c:2]1[n:3](-[c:30]2[cH:29][c:28]([Cl:27])[c:33]([O:34][CH:35]([CH3:36])[CH3:37])[cH:32][cH:31]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