HRID199740

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID55250753

未命名化合物

结构：CC(C)(C)COC1CN(C(=O)OC(C)(C)C)C(C=O)CO1

HCID91358954

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)COC1CN(C(=O)OC(C)(C)C)C(C(O)C(Cc2cc(F)cc(F)c2)[N+](=O)[O-])CO1

HCID77514573

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0167a94a8ee4d3eaca6b0141c234a65
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:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH2:27][CH:28]([O:34][CH2:35][C:36]([CH3:37])([CH3:38])[CH3:39])[O:29][CH2:30][CH:31]1[CH:32]=[O:33].[CH3:2][CH2:3][CH2:4][CH2:5][N+:6]([CH2:7][CH2:8][CH2:9][CH3:10])([CH2:11][CH2:12][CH2:13][CH3:14])[CH2:15][CH2:16][CH2:17][CH3:18].[Cl-:54].[F-:1].[F:40][c:41]1[cH:42][c:43]([F:52])[cH:44][c:45]([CH2:47][CH2:48][N+:49](=[O:50])[O-:51])[cH:46]1.[Na+:53].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1>>[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH2:27][CH:28]([O:34][CH2:35][C:36]([CH3:37])([CH3:38])[CH3:39])[O:29][CH2:30][CH:31]1[CH:32]([OH:33])[CH:48]([CH2:47][c:45]1[cH:44][c:43]([F:52])[cH:42][c:41]([F:40])[cH:46]1)[N+:49](=[O:50])[O-:51]