HRID1203819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CCOC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1cccc([N+](=O)[O-])c1

HCID4656727

3-Ethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

C17H18N2O6

HCID53427013

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=CC=Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1

HCID86741577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee6e731c012843439d268e520c955f5b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:53][N:54]([CH3:55])[c:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1.[CH:26]1([N:27]=[C:28]=[N:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1.[Cl:62][CH:63]([Cl:64])[CH3:65].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:10]2[C:11]([C:21](=[O:22])[O:23][CH2:24][CH3:25])=[C:12]([CH3:20])[NH:13][C:14]([CH3:19])=[C:15]2[C:16](=[O:17])[OH:18])[cH:7][cH:8][cH:9]1.[c:41]1([CH:47]=[CH:48][CH:49]=[CH:50][CH2:51][OH:52])[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:10]2[C:11]([C:21](=[O:22])[O:23][CH2:24][CH3:25])=[C:12]([CH3:20])[NH:13][C:14]([CH3:19])=[C:15]2[C:16](=[O:17])[O:52][CH2:51][CH:50]=[CH:49][CH:48]=[CH:47][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:7][cH:8][cH:9]1