HRID197133

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

HCID98399

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

C8H6FNO2

HCID4188612

isobutyl P,P-dimethyl-phosphinate

C6H15O2P

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CC(C)COP(C)(=O)CC(C[N+](=O)[O-])c1ccc(F)cc1

HCID19090918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d201720a124b4ea4a7bc4dee5d0b0e05
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

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