HRID316139

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

HCID2782194

未命名化合物

结构：CCCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)[nH]c2ncnn12

HCID135715047

未命名化合物

PRODUCTS

生成物

结构：CCCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(-c2ccc(OC)c(F)c2)c2ncnn12

HCID67009917

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6fe106d434e4a1dac91a1a8d14d1439
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:64]([O-:65])(=[O:66])[CH3:67].[C:69]([O-:70])(=[O:71])[CH3:72].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:15][c:16]2[cH:17][cH:18][c:19](-[c:22]3[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]3)[cH:20][cH:21]2)[c:7](=[O:14])[nH:8][c:9]2[n:10]1[n:11][cH:12][n:13]2.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:55][CH2:56][Cl:57].[Cu+2:68].[F:30][c:31]1[cH:32][c:33]([B:39]([OH:40])[OH:41])[cH:34][cH:35][c:36]1[O:37][CH3:38].[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:15][c:16]2[cH:17][cH:18][c:19](-[c:22]3[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]3)[cH:20][cH:21]2)[c:7](=[O:14])[n:8](-[c:33]2[cH:32][c:31]([F:30])[c:36]([O:37][CH3:38])[cH:35][cH:34]2)[c:9]2[n:10]1[n:11][cH:12][n:13]2