HRID85986

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

HCID2734377

4-Phenoxyphenylboronic acid

C12H11BO3

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(Oc3ccccc3)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460671

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21786899c87d4d21b6b96e65616abb8e
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:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH2:56]([Cl:57])[Cl:58].[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.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Cu+2:69].[O:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[c:34]1[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]1.[cH:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1>>[CH3:1][c:2]1[n:3](-[c:37]2[cH:36][cH:35][c:34]([O:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:39][cH:38]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