HRID167778

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID8471

Triethylamine

C6H15N

HCID8502

4-Nitrobenzoyl chloride

C7H4ClNO3

HCID8857

Ethyl acetate

C4H8O2

HCID13442375

4-(2-Aminobenzamido)butanoic acid

C11H14N2O3

PRODUCTS

生成物

结构：O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1

HCID23118562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7907caaa870459eb9c455ea59e47a82
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:44]([Cl:45])[Cl:46].[CH3:17][Si:18]([Cl:19])([CH3:20])[CH3:21].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[ClH:43].[N+:29](=[O:30])([O-:31])[c:32]1[cH:33][cH:34][c:35]([C:36](=[O:37])[Cl:38])[cH:39][cH:40]1.[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][CH2:8][CH2:9][C:10](=[O:11])[OH:12])[cH:13][cH:14][cH:15][cH:16]1.[Na+:42].[OH-:41]>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][CH2:8][CH2:9][C:10](=[O:11])[OH:12])[cH:13][cH:14][cH:15][cH:16]1)[C:36]([c:35]1[cH:34][cH:33][c:32]([N+:29](=[O:30])[O-:31])[cH:40][cH:39]1)=[O:37]