HRID2125108

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

HCID23005350

未命名化合物

结构：CCCc1nc(C)[nH]c(=O)c1Cc1ccc(-c2ccccc2C#N)c(F)c1

HCID136203381

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C)n(-c2ccc3c(c2)CC(C)(C)O3)c(=O)c1Cc1ccc(-c2ccccc2C#N)c(F)c1

HCID57460903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7913a29478e54c64bb8817a1e7aaff7e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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