HRID208611

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID286735

1-Methyl-4-(2-nitroethenyl)benzene

C9H9NO2

HCID13764418

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCOC(OCC)P(=O)(CC(C[N+](=O)[O-])c1ccc(C)cc1)OCC

HCID14362829

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c42fc7f4296a428784379709064e27b2
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

[CH2:13]([CH3:14])[O:15][P:16](=[O:17])([CH3:18])[CH:19]([O:20][CH2:21][CH3:22])[O:23][CH2:24][CH3:25].[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:26][c:27]1[cH:28][cH:29][c:30]([CH:31]=[CH:32][N+:33](=[O:34])[O-:35])[cH:36][cH:37]1.[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl-:38].[NH4+:39].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1>>[CH2:13]([CH3:14])[O:15][P:16](=[O:17])([CH2:18][CH:31]([c:30]1[cH:29][cH:28][c:27]([CH3:26])[cH:37][cH:36]1)[CH2:32][N+:33](=[O:34])[O-:35])[CH:19]([O:20][CH2:21][CH3:22])[O:23][CH2:24][CH3:25]