HRID172060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID31275

1,4-Dioxane

C4H8O2

HCID78543

(4-Chlorobutyl)benzene

C10H13Cl

HCID81531

Diisopropylethylamine

C8H19N

HCID16757255

2-methyl-N-[3-(4-piperidyl)phenyl]propanamide

C15H22N2O

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCc3ccccc3)CC2)c1

HCID22049128

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8950ec327e00441dbc51d71011ba3fc4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:40]([N+:41]([CH2:42][CH2:43][CH2:44][CH3:45])([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH3:56].[CH3:1][CH:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][c:8]([CH:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[cH:9][cH:10][cH:11]1)[CH3:18].[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[I-:39].[O:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[c:19]1([CH2:25][CH2:26][CH2:27][CH2:28][Cl:29])[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[CH3:1][CH:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][c:8]([CH:12]2[CH2:13][CH2:14][N:15]([CH2:28][CH2:27][CH2:26][CH2:25][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:16][CH2:17]2)[cH:9][cH:10][cH:11]1)[CH3:18]