HRID110427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

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

HCID57460610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f1ffc85c9e54850ad73979b8a9b459a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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