HRID156407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

2 次

HCID6108

4-Nitrobenzoic acid

C7H5NO4

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID419889

Ethyl 3-aminopropanoate

C5H11NO2

PRODUCTS

生成物

结构：CCOC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1

HCID60643026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4dddee88b6f945b3b8a922b21a29de09
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

[CH2:14]([CH3:15])[O:16][C:17]([CH2:18][CH2:19][NH2:20])=[O:21].[CH2:34]([N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43])[CH3:44].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[ClH:13].[ClH:33].[OH2:22].[OH2:45].[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.[OH:23][n:24]1[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[n:31][n:32]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)[NH:20][CH2:19][CH2:18][C:17]([O:16][CH2:14][CH3:15])=[O:21]