HRID185408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID21642

1-Bromopinacolone

C6H11BrO

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)[nH]c2ncnn12

HCID135715029

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(CC(=O)C(C)(C)C)c2ncnn12

HCID67009170

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aff5a69af467479caf2d99937084e944
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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