HRID313551

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

HCID201262

Benzeneboronic acid, p-methoxy-

C7H9BO3

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)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460630

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f827b42c4094fdc8e9732f3602cc6e0
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:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH2:51]([Cl:52])[Cl:53].[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][O:28][c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cu+2:64].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[CH3:1][c:2]1[n:3](-[c:32]2[cH:31][cH:30][c:29]([O:28][CH3:27])[cH:34][cH:33]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