HRID2334253

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate Ion

CO3-2

HCID123062

1-(Bromomethyl)-4-(trifluoromethyl)benzene

C8H6BrF3

HCID58772821

未命名化合物

HCID58772822

未命名化合物

PRODUCTS

产物

HCID15953665

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d4260888bc924226b4c889e316ecc880
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[Br:52][CH2:53][c:54]1[cH:55][cH:56][c:57]([C:60]([F:61])([F:62])[F:63])[cH:58][cH:59]1.[CH3:70][C:71](=[O:72])[CH3:73].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:10]3[n:11]([cH:12][n:13]2)[c:14](=[O:17])[nH:15][n:16]3)[cH:6][cH:7]1.[Cl:24][c:25]1[cH:26][cH:27][c:28](-[c:29]2[n:30][cH:31][n:32][c:33]([NH:34][NH:35][C:36]([O:37][C:38]([Cl:39])([Cl:40])[Cl:41])=[O:42])[c:43]2-[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51]1.[K+:64].[K+:65].[O-:66][C:67]([O-:68])=[O:69]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:10]3[n:11]([cH:12][n:13]2)[c:14](=[O:17])[n:15]([CH2:53][c:54]2[cH:55][cH:56][c:57]([C:60]([F:61])([F:62])[F:63])[cH:58][cH:59]2)[n:16]3)[cH:6][cH:7]1