HRID110315

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID18414100

1-(5-Fluoro-2-methoxyphenyl)piperazine

C11H15FN2O

HCID19968360

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(F)cc1N1CCN(CCC(C(=O)N2C3CCCC2CC3)c2ccccc2)CC1

HCID19968354

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e02e382c049c473abbf4a996dbdf7384
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

[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[CH:16]12[CH2:17][CH2:18][CH2:19][CH:20]([CH2:21][CH2:22]1)[N:23]2[C:24]([CH:25]([CH2:26][CH2:27][Cl:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)=[O:35].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[ClH:47].[F:1][c:2]1[cH:3][cH:4][c:5]([O:14][CH3:15])[c:6]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:7]1.[I-:46].[K+:45].[OH2:53]>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:14][CH3:15])[c:6]([N:8]2[CH2:9][CH2:10][N:11]([CH2:27][CH2:26][CH:25]([C:24]([N:23]3[CH:16]4[CH2:17][CH2:18][CH2:19][CH:20]3[CH2:21][CH2:22]4)=[O:35])[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:12][CH2:13]2)[cH:7]1