HRID1567733

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

反应SMILES：O=C(O)c1cc2cccc([N+](=O)[O-])c2[nH]1

HCID81409

1H-Indole-2-carboxylic acid, 7-nitro-

C9H6N2O4

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1

HCID69681052

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-edf96242cd284c6d958f69ca501691dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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