HRID211649

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)c1ccc(F)c([N+](=O)[O-])c1

HCID58748597

tert-Butyl 4-fluoro-3-nitrobenzoate

C11H12FNO4

HCID67080489

Ethyl 6,8-dichloro-3,4-dihydro-7-hydroxy-2H-1-benzopyran-4-carboxylate

C12H12Cl2O4

PRODUCTS

生成物

结构：CCOC(=O)C1CCOc2c1cc(Cl)c(Oc1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-])c2Cl

HCID67080485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-731c568a3914449b8eed15ac5ea79c6f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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