HRID952538

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2cc(F)c([N+](=O)[O-])cc2F)c1=O

HCID12115509

未命名化合物

HCID18619272

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1[N+](=O)[O-]

HCID18619183

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22d9825f7c074d179644059274ce2447
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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