HRID943074

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID75272

1,3-Difluoro-5-nitrobenzene

C6H3F2NO2

HCID166653

Hydride

H-

结构：CN(CC(O)CN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

HCID22485464

未命名化合物

PRODUCTS

生成物

结构：CN(CC(CN(C)C(=O)OC(C)(C)C)Oc1cc(F)cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C

HCID57683627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a818c4c8fa64cb0a7e961b081d48d14
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

[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Cl-:48].[H-:35].[N+:23](=[O:24])([O-:25])[c:26]1[cH:27][c:28]([F:33])[cH:29][c:30]([F:32])[cH:31]1.[NH4+:49].[Na+:34].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:36].[OH:1][CH:2]([CH2:3][N:4]([C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11])[CH3:12])[CH2:13][N:14]([C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH3:22]>>[O:1]([CH:2]([CH2:3][N:4]([C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11])[CH3:12])[CH2:13][N:14]([C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH3:22])[c:28]1[cH:27][c:26]([N+:23](=[O:24])[O-:25])[cH:31][c:30]([F:32])[cH:29]1