HRID297207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID947

Nitrogen

HCID2759579

2-Methoxy-N-methylaniline

C8H11NO

结构：COC(=O)c1cc(-c2cnc(C(F)(F)F)cc2C#N)c(Cl)cc1OC

HCID68602543

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)cc1C(=O)N(C)c1ccccc1OC

HCID59370332

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc516db53cfc44f8b123e4bab1ac2600
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:11][O:12][C:13]([c:14]1[c:15]([O:33][CH3:34])[cH:16][c:17]([Cl:32])[c:18](-[c:20]2[cH:21][n:22][c:23]([C:28]([F:29])([F:30])[F:31])[cH:24][c:25]2[C:26]#[N:27])[cH:19]1)=[O:35].[Cl:36][CH2:37][CH2:38][Cl:39].[N:40]#[N:41].[O:1]([CH3:2])[c:3]1[c:4]([NH:5][CH3:6])[cH:7][cH:8][cH:9][cH:10]1>>[O:1]([CH3:2])[c:3]1[c:4]([N:5]([CH3:6])[C:13]([c:14]2[c:15]([O:33][CH3:34])[cH:16][c:17]([Cl:32])[c:18](-[c:20]3[cH:21][n:22][c:23]([C:28]([F:29])([F:30])[F:31])[cH:24][c:25]3[C:26]#[N:27])[cH:19]2)=[O:35])[cH:7][cH:8][cH:9][cH:10]1