HRID289072

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

HCID43297227

(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)boronic acid

C9H11BO3

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

HCID135401222

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(C)n(-c2ccc3c(c2)CC(C)O3)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4108444ee24540de8cfffdef1b4a1628
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:63]([O-:64])(=[O:65])[CH3:66].[C:68]([O-:69])(=[O:70])[CH3:71].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH3:27])[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.[CH2:54]([Cl:55])[Cl:56].[CH3:28][CH:29]1[O:30][c:31]2[c:32]([cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]2)[CH2:33]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].[Cu+2:67].[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH3:27])[n:8](-[c:35]2[cH:34][c:32]3[c:31]([cH:37][cH:36]2)[O:30][CH:29]([CH3:28])[CH2:33]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