HRID143501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID4661574

3-Methyl-2-(3,4,5-trimethoxyphenyl)butanenitrile

C14H19NO3

HCID13288309

3-(Chloromethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine

C16H24ClNO2

PRODUCTS

生成物

结构：COc1ccc(CCN2CCCC(CC(C#N)(c3cc(OC)c(OC)c(OC)c3)C(C)C)C2)cc1OC

HCID13288319

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d724c90f49634c7caab11be88b7c0600
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

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