HRID190457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6569

Methyl ethyl ketone

C4H8O

HCID81740

4-(Chloromethyl)-1,2-dimethoxy benzene

C9H11ClO2

HCID10356330

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

2 次

结构：COc1ccc(CN2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1OC

HCID21537807

1-[(3,4-Dimethoxyphenyl)methyl]-4-(3,3-diphenylpropyl)piperazine

C28H34N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7740c4d511114088ad2c75779d82154c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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