HRID1551710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

3 次

HCID16844

Acetamide, 2-chloro-N,N-diethyl-

C6H12ClNO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

结构：CCC(O)(c1ccc(O)cc1)c1cccc(C(F)(F)F)c1

HCID181876

4-{1-Hydroxy-1-[3-(trifluoromethyl)phenyl]propyl}phenol

C16H15F3O2

PRODUCTS

生成物

结构：CCN(CC)C(=O)COc1ccc(C(O)(CC)c2cccc(C(F)(F)F)c2)cc1

HCID20207217

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03c79850e4c5427caf0a37bb46351584
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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