HRID160650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID19660

Carbonate

CO3-2

HCID24813

Phosphoric trichloride

Cl3OP

HCID30165

Iodide ion

I-

HCID67970

2-Fluorobenzaldehyde

C7H5FO

HCID104967

Cesium(1+)

Cs+

2 次

HCID4441114

4-(Chloromethyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole

C11H9ClFNO

HCID69305422

未命名化合物

PRODUCTS

生成物

结构：CCOC(Cc1ccc(OCc2nc(-c3ccccc3F)oc2C)cc1C(F)(F)F)C(=O)OC

HCID69282253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2054d08db4fe43178d52c8a24ebcd07e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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