HRID143705

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

HCID19660

Carbonate

CO3-2

结构：Cc1cc(C#N)cc(C(=O)c2[nH]c(=O)[nH]c(=O)c2C(C)C)c1

HCID46880377

未命名化合物

HCID59184728

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2cc(F)cc(Cn3c(C(=O)c4cc(C)cc(C#N)c4)c(C(C)C)c(=O)[nH]c3=O)c2)cc1

HCID59184771

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71a24928180f4855ad77b8fa2f7dc3b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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