HRID1554529

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID813

Potassium cation

K+

3 次

HCID3283

Diethyl Ether

C4H10O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID13250544

4-[Bis(4-fluorophenyl)methyl]piperidine

C18H19F2N

HCID14407183

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccccc1OCCCN1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

HCID14407142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00009ed6a6084dcd88ab6feadd174585
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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