HRID1574775

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(CCOC)[nH]c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID136026916

未命名化合物

PRODUCTS

生成物

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

HCID57460337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-babbfd9e8c8c49b7a0711b609d2bd19d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:62]([O-:63])(=[O:64])[CH3:65].[C:67]([O-:68])(=[O:69])[CH3:70].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH2:27][CH2:28][O:29][CH3:30])[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.[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cl:71][CH2:72][Cl:73].[Cu+2:66].[O:31]1[CH2:32][CH2:33][c:34]2[c:35]1[cH:36][cH:37][c:38]([B:40]([OH:41])[OH:42])[cH:39]2.[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH2:27][CH2:28][O:29][CH3:30])[n:8](-[c:38]2[cH:37][cH:36][c:35]3[c:34]([cH:39]2)[CH2:33][CH2:32][O:31]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