HRID2127751

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID24401

Permanganate Ion

MnO4-

HCID61778

Bisulfate anion

HO4S-

HCID75057

N,N,N-Trihexyl-1-hexanaminium

C24H52N+

HCID159940

Disulfite

O5S2-2

结构：COC=C(C(=O)OC)c1ccccc1C(=NOC)c1cccc(C(F)(F)F)c1

HCID173356487

未命名化合物

PRODUCTS

生成物

结构：CON=C(c1cccc(C(F)(F)F)c1)c1ccccc1C(=O)C(=O)OC

HCID178502637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7757e36c161a4436a942bf1af8ccd65c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:53]([N+:54]([CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60])([CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71][CH3:72])[CH2:73][CH2:74][CH2:75][CH2:76][CH3:77].[CH3:1][O:2][CH:3]=[C:4]([C:5](=[O:6])[O:7][CH3:8])[c:9]1[c:10]([C:15](=[N:16][O:17][CH3:18])[c:19]2[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]2)[cH:11][cH:12][cH:13][cH:14]1.[Cl:44][CH2:45][Cl:46].[K+:34].[Mn:29](=[O:30])([O-:31])(=[O:32])=[O:33].[Na+:42].[Na+:43].[OH2:47].[S:35]([S:36]([O-:37])=[O:38])([O-:39])(=[O:40])=[O:41].[S:48]([O-:49])([OH:50])(=[O:51])=[O:52]>>[C:4]([C:5](=[O:6])[O:7][CH3:8])([c:9]1[c:10]([C:15](=[N:16][O:17][CH3:18])[c:19]2[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]2)[cH:11][cH:12][cH:13][cH:14]1)=[O:30]