HRID2138099

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID240

Benzaldehyde

C7H6O

HCID312

Chloride

Cl-

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID11085761

ethyl 2-diethylphosphonoacrylate

C9H17O5P

HCID178418339

未命名化合物

HCID178476799

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=Cc1ccccc1)CP(=O)(CC(C)C)OCC

HCID54411824

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79779121f87948dbaa6ba144152a2ac4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:19]([CH:20]([CH3:21])[CH3:22])[PH:23]([O:24][CH2:25][CH3:26])=[O:27].[CH2:28]([O:29][P:30]([O:31][CH2:32][CH3:40])([C:33]([C:34](=[O:35])[O:36][CH2:37][CH3:38])=[CH2:39])=[O:41])[CH3:42].[CH2:7]([Li:8])[CH2:9][CH2:10][CH3:11].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[CH:12]([NH:13][CH:14]([CH3:15])[CH3:16])([CH3:17])[CH3:18].[CH:43](=[O:44])[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Cl-:51].[NH4+:52].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1>>[CH2:19]([CH:20]([CH3:21])[CH3:22])[P:23]([O:24][CH2:25][CH3:26])(=[O:27])[CH2:39][C:33]([C:34](=[O:35])[O:36][CH2:37][CH3:38])=[CH:43][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1