HRID2137026

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID83717

Copper iodide (CuI2)

CuI2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCOP(C)(=O)C(C(N)=O)c1csc2ccc(Cl)cc12

HCID44228969

Ethyl [2-amino-1-(5-chloro-1-benzothiophen-3-yl)-2-oxoethyl]methylphosphinate

C13H15ClNO3PS

HCID53395313

未命名化合物

PRODUCTS

生成物

结构：CCOP(C)(=O)C(C(=O)NC=Cc1ccc(F)c(F)c1)c1csc2ccc(Cl)cc12

HCID68526644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67f8327322a64cec9b1c73d3fef324e1
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

[Br:27][CH:28]=[CH:29][c:30]1[cH:31][c:32]([F:37])[c:33]([F:36])[cH:34][cH:35]1.[C:21](=[O:22])([O-:23])[O-:24].[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([CH3:6])[CH:7]([c:8]1[c:9]2[c:10]([s:11][cH:12]1)[cH:13][cH:14][c:15]([Cl:17])[cH:16]2)[C:18]([NH2:19])=[O:20].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Cs+:25].[Cs+:26].[Cu:44]([I:45])[I:46].[OH2:47]>>[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([CH3:6])[CH:7]([c:8]1[c:9]2[c:10]([s:11][cH:12]1)[cH:13][cH:14][c:15]([Cl:17])[cH:16]2)[C:18]([NH:19][CH:28]=[CH:29][c:30]1[cH:31][c:32]([F:37])[c:33]([F:36])[cH:34][cH:35]1)=[O:20]