HRID188868

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-

HCID81531

Diisopropylethylamine

C8H19N

HCID94459

1-(2-Pyridinyl)piperazine

C9H13N3

HCID19786560

未命名化合物

PRODUCTS

生成物

结构：O=C1c2c(-c3ccccc3F)noc2CCC1CCCN1CCN(c2ccccn2)CC1

HCID19786588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-074943408c1f46358dea5264d380dd77
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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].[I-:50].[K+:26].[K+:27].[K+:49].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[n:37]1[c:38]([N:43]2[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]2)[cH:39][cH:40][cH:41][cH:42]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])[N:46]1[CH2:45][CH2:44][N:43]([c:38]2[n:37][cH:42][cH:41][cH:40][cH:39]2)[CH2:48][CH2:47]1