HRID2328443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID622669

1-(3-Chloropropyl)-4-(2-methoxyphenyl)piperazine

C14H21ClN2O

HCID14837040

4-(Pentafluorophenoxy)piperidine

C11H10F5NO

PRODUCTS

生成物

结构：COc1ccccc1N1CCN(CCCN2CCC(Oc3c(F)c(F)c(F)c(F)c3F)CC2)CC1

HCID14837056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d1d1c32ca674dbf84a7294d0a6ffa9f
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

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