HRID663919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6809

Phthalimide

C8H5NO2

结构：N#Cc1cc(C(F)(F)F)ccc1Oc1ccc([N+](=O)[O-])c(C(=O)Cl)c1

HCID20229922

5-[2-Cyano-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl chloride

C15H6ClF3N2O4

PRODUCTS

生成物

结构：N#Cc1cc(C(F)(F)F)ccc1Oc1ccc([N+](=O)[O-])c(C(=O)N2C(=O)c3ccccc3C2=O)c1

HCID20472961

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1c3b6f540fa49eb96fcfdcb9290fcdd
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

[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[N+:12](=[O:13])([O-:14])[c:15]1[c:16]([C:17](=[O:18])[Cl:19])[cH:20][c:21]([O:24][c:25]2[c:26]([C:35]#[N:36])[cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]2)[cH:22][cH:23]1.[O:1]=[C:2]1[NH:3][C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21.[OH2:37]>>[O:1]=[C:2]1[N:3]([C:17]([c:16]2[c:15]([N+:12](=[O:13])[O-:14])[cH:23][cH:22][c:21]([O:24][c:25]3[c:26]([C:35]#[N:36])[cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]3)[cH:20]2)=[O:18])[C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21