HRID2137230

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID83113

4-(4-Tolyl)piperazine

C11H16N2

HCID239725

2-(4-methyl-1,4-diazepan-1-yl)ethanol

C8H18N2O

PRODUCTS

生成物

结构：Cc1ccc(N2CCN(C(=O)OCCN3CCCN(C)CC3)CC2)cc1

HCID42633097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-907a0cba26af4e7f8c4bfb8aa78ca26f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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