HRID1237824

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

HCID81531

Diisopropylethylamine

C8H19N

HCID83111

1-(m-Tolyl)piperazine

C11H16N2

结构：CN1CCC(COC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

HCID57445006

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(N2CCN(C(=O)OCC3CCN(C)CC3)CC2)c1

HCID42635254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cf1c4ce49be4031b1c68ee9ab348d2e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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