HRID120429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID19660

Carbonate Ion

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID123061

1-(Bromomethyl)-3-(trifluoromethyl)benzene

C8H6BrF3

HCID10928069

未命名化合物

PRODUCTS

产物

HCID9916392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-662616d78a744a16988b38806fe6d8b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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