HRID678928

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

HCID8857

Ethyl acetate

C4H8O2

HCID27099

Copper(2+)

Cu+2

HCID66827

Boronic acid, phenyl-

C6H7BO2

结构：CCc1ccc(F)c(N(Cc2cc[nH]n2)c2ccc(C#N)cc2)c1

HCID178436485

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(F)c(N(Cc2ccn(-c3ccccc3)n2)c2ccc(C#N)cc2)c1

HCID68812611

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b52847d9b2e461c950c29d75e58572a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:49]([O-:50])(=[O:51])[CH3:52].[C:54]([O-:55])(=[O:56])[CH3:57].[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([F:24])[c:7]([N:9]([c:10]2[cH:11][cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17]2)[CH2:18][c:19]2[n:20][nH:21][cH:22][cH:23]2)[cH:8]1.[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[Cl:40][CH2:41][Cl:42].[Cu+2:53].[c:31]1([B:37]([OH:38])[OH:39])[cH:32][cH:33][cH:34][cH:35][cH:36]1.[cH:25]1[cH:26][cH:27][n:28][cH:29][cH:30]1>>[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([F:24])[c:7]([N:9]([c:10]2[cH:11][cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17]2)[CH2:18][c:19]2[n:20][n:21](-[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:22][cH:23]2)[cH:8]1