HRID160165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID67338

1,2-Ethanediamine, N,N,N'-trimethyl-

C5H14N2

HCID81531

Diisopropylethylamine

C8H19N

HCID521305

1-Chloroethyl carbonochloridate

C3H4Cl2O2

HCID2734770

2-Fluoro-5-nitrobenzaldehyde

C7H4FNO3

HCID18455593

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2ccc([N+](=O)[O-])cc2C=O)CC(C(F)(F)F)O1

HCID18455588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a255bb353b3b4adba8feec8015d4307b
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

[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[N:15]1[CH2:16][CH:17]([CH3:25])[O:18][CH:19]([C:21]([F:22])([F:23])[F:24])[CH2:20]1.[CH3:53][N:54]([CH3:55])[CH2:56][CH2:57][NH:58][CH3:59].[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[Cl:1][C:2]([O:3][CH:4]([Cl:5])[CH3:6])=[O:7].[Cl:60][CH2:61][Cl:62].[F:41][c:42]1[c:43]([CH:44]=[O:45])[cH:46][c:47]([N+:50](=[O:51])[O-:52])[cH:48][cH:49]1.[K+:35].[K+:36].[O-:37][C:38]([O-:39])=[O:40]>>[N:15]1([c:42]2[c:43]([CH:44]=[O:45])[cH:46][c:47]([N+:50](=[O:51])[O-:52])[cH:48][cH:49]2)[CH2:16][CH:17]([CH3:25])[O:18][CH:19]([C:21]([F:22])([F:23])[F:24])[CH2:20]1