HRID1139521

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID8900

Heptane

C7H16

HCID31275

1,4-Dioxane

C4H8O2

结构：CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1

HCID70670

Acetic acid, (triphenylphosphoranylidene)-, ethyl ester

C22H21O2P

HCID587036

2-(4-Chlorophenyl)propanal

C9H9ClO

PRODUCTS

生成物

HCID54104672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-695b1f940106417d8d0712e128e3ed6a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:12](=[O:13])([O:14][CH2:15][CH3:16])[CH:17]=[P:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[C:49]([O:50][CH2:51][CH3:52])(=[O:53])[CH3:54].[CH2:37]1[O:38][CH2:39][CH2:40][O:41][CH2:42]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH3:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH3:61].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]=[O:10])[CH3:11])[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]=[CH:17][C:12](=[O:13])[O:14][CH2:15][CH3:16])[CH3:11])[cH:6][cH:7]1