HRID283442

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8058

n-Hexane

C6H14

HCID498716

未命名化合物

HCID58975488

6-Fluoro-8-(piperazin-1-yl)quinoline

C13H14FN3

HCID59204860

4-Piperidinone, 1-(8-fluoro-7-quinolinyl)-

C14H13FN2O

PRODUCTS

生成物

结构：Fc1cc(N2CCN(C3CCN(c4ccc5cccnc5c4F)CC3)CC2)c2ncccc2c1

HCID12004115

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9eeb796f153c4bb99f6a9c30bbdeb802
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:36]([BH3-:37])#[N:38].[CH3:40][C:41]([CH3:42])=[O:43].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH3:50][OH:51].[F:19][c:20]1[cH:21][c:22]2[cH:23][cH:24][cH:25][n:26][c:27]2[c:28]([N:30]2[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]2)[cH:29]1.[F:1][c:2]1[c:3]([N:12]2[CH2:13][CH2:14][C:15](=[O:18])[CH2:16][CH2:17]2)[cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][n:10][c:11]12.[Na+:39]>>[F:1][c:2]1[c:3]([N:12]2[CH2:13][CH2:14][CH:15]([N:33]3[CH2:32][CH2:31][N:30]([c:28]4[c:27]5[c:22]([cH:21][c:20]([F:19])[cH:29]4)[cH:23][cH:24][cH:25][n:26]5)[CH2:35][CH2:34]3)[CH2:16][CH2:17]2)[cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][n:10][c:11]12