HRID1120564

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID10793

1,3-Dichloropropanone

C3H4Cl2O

HCID19660

Carbonate Ion

CO3-2

HCID30165

Iodide ion

I-

HCID104967

Cesium(1+)

Cs+

2 次

HCID2779521

3-Chloro-4-fluorothiobenzamide

C7H5ClFNS

HCID22340143

2-(3-Chloro-4-fluorophenyl)-4-(chloromethyl)-1,3-thiazole

C10H6Cl2FNS

HCID69280481

未命名化合物

PRODUCTS

产物

HCID178467722

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a41088d89afe40f1aa11f66cdd4d23ec
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:50](=[O:51])([O-:52])[O-:53].[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[c:7]([CH3:13])[cH:8][c:9]([OH:12])[cH:10][cH:11]1)[O:14][CH2:15][CH3:16])=[O:17].[Cl:18][c:19]1[cH:20][c:21](-[c:26]2[s:27][cH:28][c:29]([CH2:31][Cl:32])[n:30]2)[cH:22][cH:23][c:24]1[F:25].[Cl:33][c:34]1[cH:35][c:36]([C:41]([NH2:42])=[S:43])[cH:37][cH:38][c:39]1[F:40].[Cl:44][CH2:45][C:46]([CH2:47][Cl:48])=[O:49].[Cs+:54].[Cs+:55].[I-:57].[K+:56]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[c:7]([CH3:13])[cH:8][c:9]([O:12][CH2:31][c:29]2[cH:28][s:27][c:26](-[c:21]3[cH:20][c:19]([Cl:18])[c:24]([F:25])[cH:23][cH:22]3)[n:30]2)[cH:10][cH:11]1)[O:14][CH2:15][CH3:16])=[O:17]