HRID2340251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID813

Potassium cation

K+

3 次

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID13250544

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

C18H19F2N

HCID14407174

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)cc(OCCCN2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1

HCID14407094

4-[Bis(4-fluorophenyl)methyl]-1-[3-(3,5-dimethoxyphenoxy)propyl]piperidine

C29H33F2NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3b3bf09b1d14b1890a2b0a902f9e9c5
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:37](=[O:38])([O-:39])[O-:40].[CH2:45]([OH:46])[CH2:47][CH2:48][CH3:49].[Cl:22][CH2:23][CH2:24][CH2:25][O:26][c:27]1[cH:28][c:29]([O:35][CH3:36])[cH:30][c:31]([O:33][CH3:34])[cH:32]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-:44].[K+:41].[K+:42].[K+:43]>>[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[cH:28][c:29]([O:35][CH3:36])[cH:30][c:31]([O:33][CH3:34])[cH:32]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