HRID170691

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

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

结构：CC1=C(C(=O)C2CCC2)C(c2ccc(C#N)cc2)NC(=O)N1c1cccc(C(F)(F)F)c1

HCID59684872

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)C2CCC2)C(c2ccc(C#N)cc2)N(CC(=O)OC(C)(C)C)C(=O)N1c1cccc(C(F)(F)F)c1

HCID59684827

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcb041b8c06a410cac20666c079f1e2a
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:39][CH2:40][C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47].[C:33](=[O:34])([O-:35])[O-:36].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[CH:1]1([C:5](=[O:6])[C:7]2=[C:12]([CH3:13])[N:11]([c:14]3[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]3)[C:10](=[O:24])[NH:9][CH:8]2[c:25]2[cH:26][cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32]2)[CH2:2][CH2:3][CH2:4]1.[K+:37].[K+:38]>>[CH:1]1([C:5](=[O:6])[C:7]2=[C:12]([CH3:13])[N:11]([c:14]3[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]3)[C:10](=[O:24])[N:9]([CH2:40][C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH:8]2[c:25]2[cH:26][cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32]2)[CH2:2][CH2:3][CH2:4]1