HRID115730

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID220632

3-bromo-1,1,1-trifluoropropan-2-ol

C3H4BrF3O

结构：CNc1ccc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(O)cc1

HCID68703050

未命名化合物

PRODUCTS

生成物

结构：CNc1ccc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(OCC(O)C(F)(F)F)cc1

HCID86615241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a4629d77d854fa2bab0e272e080bb18
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

[Br:33][CH2:34][CH:35]([C:36]([F:37])([F:38])[F:39])[OH:40].[C:41](=[O:42])([O-:43])[O-:44].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:31][CH3:32])[c:6]([C:7](=[O:8])[N:9]([CH2:10][CH2:11][c:12]2[cH:13][c:14]([C:18]([F:19])([F:20])[F:21])[cH:15][cH:16][cH:17]2)[CH2:22][c:23]2[cH:24][cH:25][c:26]([OH:29])[cH:27][cH:28]2)[cH:30]1.[K+:45].[K+:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:52]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:31][CH3:32])[c:6]([C:7](=[O:8])[N:9]([CH2:10][CH2:11][c:12]2[cH:13][c:14]([C:18]([F:19])([F:20])[F:21])[cH:15][cH:16][cH:17]2)[CH2:22][c:23]2[cH:24][cH:25][c:26]([O:29][CH2:34][CH:35]([C:36]([F:37])([F:38])[F:39])[OH:40])[cH:27][cH:28]2)[cH:30]1