HRID120695

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc([N+](=O)[O-])cc3)ccc12

HCID22319698

未命名化合物

PRODUCTS

生成物

结构：CCCC(=O)Nc1n[nH]c2cc(-c3ccc([N+](=O)[O-])cc3)ccc12

HCID22319556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2460d84027cd478cb8e24a12b24b9604
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:57](=[O:58])([O-:59])[OH:60].[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].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[F-:1].[N+:19](=[O:20])([O-:21])[c:22]1[cH:23][cH:24][c:25](-[c:28]2[cH:29][cH:30][c:31]3[c:32]([NH:45][C:46]([CH2:47][CH2:48][CH3:49])=[O:50])[n:33][n:34]([CH2:37][O:38][CH2:39][CH2:40][Si:41]([CH3:42])([CH3:43])[CH3:44])[c:35]3[cH:36]2)[cH:26][cH:27]1.[Na+:61].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1>>[N+:19](=[O:20])([O-:21])[c:22]1[cH:23][cH:24][c:25](-[c:28]2[cH:29][cH:30][c:31]3[c:32]([NH:45][C:46]([CH2:47][CH2:48][CH3:49])=[O:50])[n:33][nH:34][c:35]3[cH:36]2)[cH:26][cH:27]1