HRID181815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6569

Methyl ethyl ketone

C4H8O

HCID19660

Carbonate

CO3-2

HCID76513

Diethyl (hydroxymethyl)phosphonate

C5H13O4P

结构：O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-]

HCID156238

Benzene, 2-chloro-1-(3,4-dinitrophenoxy)-4-(trifluoromethyl)-

C13H6ClF3N2O5

PRODUCTS

生成物

结构：CCOP(=O)(COc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])OCC

HCID13343564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6da70f15fb364dc9b9c4f5ff7d425def
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

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