HRID164773

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID11477

Benzaldehyde, 3-chloro-

C7H5ClO

HCID19660

Carbonate

CO3-2

HCID24813

Phosphoric trichloride

Cl3OP

HCID30165

Iodide ion

I-

HCID104967

Cesium(1+)

Cs+

2 次

HCID12158074

4-(Chloromethyl)-2-(3-chlorophenyl)-5-methyloxazole

C11H9Cl2NO

HCID69309092

未命名化合物

PRODUCTS

生成物

结构：CCOC(Cc1ccc(OCc2nc(-c3cccc(Cl)c3)oc2C)cc1OC)C(=O)OC

HCID69279929

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-584684e281dc4e52a226716779dfe3e2
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:48](=[O:49])([O-:50])[O-:51].[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[c:7]([O:13][CH3:14])[cH:8][c:9]([OH:12])[cH:10][cH:11]1)[O:15][CH2:16][CH3:17])=[O:18].[Cl:19][CH2:20][c:21]1[n:22][c:23](-[c:27]2[cH:28][c:29]([Cl:33])[cH:30][cH:31][cH:32]2)[o:24][c:25]1[CH3:26].[Cl:34][c:35]1[cH:36][c:37]([CH:41]=[O:42])[cH:38][cH:39][cH:40]1.[Cs+:52].[Cs+:53].[I-:55].[K+:54].[P:43]([Cl:44])([Cl:45])([Cl:46])=[O:47]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[c:7]([O:13][CH3:14])[cH:8][c:9]([O:12][CH2:20][c:21]2[n:22][c:23](-[c:27]3[cH:28][c:29]([Cl:33])[cH:30][cH:31][cH:32]3)[o:24][c:25]2[CH3:26])[cH:10][cH:11]1)[O:15][CH2:16][CH3:17])=[O:18]