HRID112270

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID572064

3-chloro-1-phenylpropan-1-ol

C9H11ClO

HCID16757255

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

C15H22N2O

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCC(O)c3ccccc3)CC2)c1

HCID22048590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2585b4392094e0897d7ac42f78bcf68
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:46]([N+:47]([CH2:48][CH2:49][CH2:50][CH3:51])([CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH3:62].[CH3:12][CH:13]([C:14](=[O:15])[NH:16][c:17]1[cH:18][c:19]([CH:23]2[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2)[cH:20][cH:21][cH:22]1)[CH3:29].[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[Cl:1][CH2:2][CH2:3][CH:4]([OH:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[I-:45].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH2:63]>>[CH2:2]([CH2:3][CH:4]([OH:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[N:26]1[CH2:25][CH2:24][CH:23]([c:19]2[cH:18][c:17]([NH:16][C:14]([CH:13]([CH3:12])[CH3:29])=[O:15])[cH:22][cH:21][cH:20]2)[CH2:28][CH2:27]1