HRID1572079

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID10485

Propane, 2-bromo-2-methyl-

C4H9Br

HCID17208

Benzyltriethylammonium

C13H22N+

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

结构：O=C(O)c1ccc([N+](=O)[O-])cc1Nc1ccc(F)cc1

HCID57667897

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1Nc1ccc(F)cc1

HCID68965268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a891414e18d1418fa55d9765c1653c5b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:33][C:34]([CH3:35])([CH3:36])[CH3:37].[C:27](=[O:28])([O-:29])[O-:30].[CH2:39]([N+:40]([CH2:41][CH3:42])([CH2:43][CH3:44])[CH2:45][CH3:46])[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:1][N:2]([CH3:3])[C:4](=[O:5])[CH3:6].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl-:38].[F:7][c:8]1[cH:9][cH:10][c:11]([NH:12][c:13]2[c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19][c:20]([N+:22](=[O:23])[O-:24])[cH:21]2)[cH:25][cH:26]1.[K+:31].[K+:32].[OH2:59]>>[F:7][c:8]1[cH:9][cH:10][c:11]([NH:12][c:13]2[c:14]([C:15](=[O:16])[O:17][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:18][cH:19][c:20]([N+:22](=[O:23])[O-:24])[cH:21]2)[cH:25][cH:26]1