HRID91614

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(Oc2ccccc2)cc1[N+](=O)[O-]

HCID17989326

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(Oc2ccccc2)cc1[N+](=O)[O-]

HCID67342192

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea06bdb619534cb7811158b7d1af8ded
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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