HRID87662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID6406

2-Hydroxy-2-methylpropanenitrile

C4H7NO

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID13087874

6-Methyloxane-2,4-dione

C6H8O3

结构：O=C(Cl)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

HCID14323524

2-Nitro-4-(trifluoromethyl)benzoyl chloride

C8H3ClF3NO3

PRODUCTS

生成物

结构：CC1CC(=O)C(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)O1

HCID19898205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4b3d469301b418e90ccda61758758fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:24][CH:25]1[CH2:26][C:27](=[O:32])[CH2:28][C:29](=[O:31])[O:30]1.[CH3:33][C:34]([CH3:35])([OH:36])[C:37]#[N:38].[CH3:39][C:40]#[N:41].[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[CH:51]([Cl:52])([Cl:53])[Cl:54].[Cl:42][CH2:43][Cl:44].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:6](=[O:7])[Cl:8])[cH:9][cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[cH:12]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:6](=[O:7])[CH:28]2[C:27](=[O:32])[CH2:26][CH:25]([CH3:24])[O:30][C:29]2=[O:31])[cH:9][cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[cH:12]1