HRID2347389

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

HCID2773380

2,3-Dihydro-1-benzofuran-5-ylboronic acid

C8H9BO3

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

HCID136026912

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(CCC)n(-c2ccc3c(c2)CCO3)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39b3d31aa3034e428b5c5adb9a4d44c9
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: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]([CH2:27][CH2:28][CH3:29])[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.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:70][CH2:71][Cl:72].[Cu+2:65].[O:30]1[CH2:31][CH2:32][c:33]2[c:34]1[cH:35][cH:36][c:37]([B:39]([OH:40])[OH:41])[cH:38]2.[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH2:27][CH2:28][CH3:29])[n:8](-[c:37]2[cH:36][cH:35][c:34]3[c:33]([cH:38]2)[CH2:32][CH2:31][O:30]3)[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