HRID155913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID152932

1-(Bis(4-fluorophenyl)methyl)piperazine

C17H18F2N2

HCID10779302

1-[bis(4-fluorophenyl)methoxy]-2-chloroethane

C15H13ClF2O

PRODUCTS

生成物

结构：Fc1ccc(C(OCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2ccc(F)cc2)cc1

HCID5196089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea14da7697714d028eeb640842456675
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:41](=[O:42])([O-:43])[O-:44].[CH2:49]([C:50]([CH3:51])=[O:52])[CH:53]([CH3:54])[CH3:55].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([O:9][CH2:10][CH2:11][Cl:12])[c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[cH:6][cH:7]1.[F:20][c:21]1[cH:22][cH:23][c:24]([CH:27]([N:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[c:34]2[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]2)[cH:25][cH:26]1.[I-:48].[K+:45].[K+:46].[K+:47]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([O:9][CH2:10][CH2:11][N:31]2[CH2:30][CH2:29][N:28]([CH:27]([c:24]3[cH:23][cH:22][c:21]([F:20])[cH:26][cH:25]3)[c:34]3[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]3)[CH2:33][CH2:32]2)[c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[cH:6][cH:7]1