HRID811666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

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

HCID67080498

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCOc2c1cc(Cl)c(Oc1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-])c2Br

HCID67080517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b85dff4f5cae41e39df30cf523082745
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[c:3]([OH:18])[c:4]([Cl:17])[cH:5][c:6]2[c:11]1[O:10][CH2:9][CH2:8][CH:7]2[C:12](=[O:13])[O:14][CH2:15][CH3:16].[C:36](=[O:37])([O-:38])[O-:39].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH:48]([Cl:49])([Cl:50])[Cl:51].[ClH:42].[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+:40].[K+:41].[OH2:52]>>[Br:1][c:2]1[c:3]([O:18][c:20]2[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]2)[c:4]([Cl:17])[cH:5][c:6]2[c:11]1[O:10][CH2:9][CH2:8][CH:7]2[C:12](=[O:13])[O:14][CH2:15][CH3:16]