HRID98607

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6108

4-Nitrobenzoic acid

C7H5NO4

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1

HCID2764459

tert-Butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate

C16H21N3O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90a60e39279648909de4a73eef15e5cf
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

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