HRID2347018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID75260

4-(4-Fluorophenyl)piperazine

C10H13FN2

HCID81531

Diisopropylethylamine

C8H19N

HCID19786560

未命名化合物

PRODUCTS

生成物

结构：O=C1c2c(-c3ccccc3F)noc2CCC1CCCN1CCN(c2ccc(F)cc2)CC1

HCID19786550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3955bb668c294937bd51429e42119d6c
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:22](=[O:23])([O-:24])[O-:25].[CH:28]([N:29]([CH:30]([CH3:31])[CH3:32])[CH2:33][CH3:34])([CH3:35])[CH3:36].[Cl:1][CH2:2][CH2:3][CH2:4][CH:5]1[CH2:6][CH2:7][c:8]2[c:9]([c:10](-[c:13]3[c:14]([F:19])[cH:15][cH:16][cH:17][cH:18]3)[n:11][o:12]2)[C:20]1=[O:21].[F:37][c:38]1[cH:39][cH:40][c:41]([N:44]2[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]2)[cH:42][cH:43]1.[I-:51].[K+:26].[K+:27].[K+:50].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[CH2:2]([CH2:3][CH2:4][CH:5]1[CH2:6][CH2:7][c:8]2[c:9]([c:10](-[c:13]3[c:14]([F:19])[cH:15][cH:16][cH:17][cH:18]3)[n:11][o:12]2)[C:20]1=[O:21])[N:47]1[CH2:46][CH2:45][N:44]([c:41]2[cH:40][cH:39][c:38]([F:37])[cH:43][cH:42]2)[CH2:49][CH2:48]1