HRID124006

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID54027031

未命名化合物

结构：COP(=O)(CC(COc1cccc(Cl)c1)=NNC(N)=O)OC

HCID54268141

未命名化合物

PRODUCTS

生成物

HCID3566446

Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate

C11H14ClO5P

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-905e0aedcfb14e1281f9d95b6991ce2d
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

[CH2:58]([Cl:59])[Cl:60].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH3:49][OH:50].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Cl:1][c:2]1[cH:3][c:4]([O:5][CH2:6][C:7]([CH2:8][P:9]([O:10][CH3:11])([O:12][CH3:13])=[O:14])=[N:15][O:16][CH3:17])[cH:18][cH:19][cH:20]1.[Cl:21][c:22]1[cH:23][c:24]([O:25][CH2:29][C:30](=[N:31][NH:32][C:33]([NH2:34])=[O:35])[CH2:36][P:37](=[O:38])([O:39][CH3:40])[O:41][CH3:42])[cH:26][cH:27][cH:28]1>>[Cl:1][c:2]1[cH:3][c:4]([O:5][CH2:6][C:7]([CH2:8][P:9]([O:10][CH3:11])([O:12][CH3:13])=[O:14])=[O:25])[cH:18][cH:19][cH:20]1