HRID2144838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID4661

4-Nitrophenylacetic acid

C8H7NO4

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID48038

1-Heptanamine, N-ethyl-

C9H21N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

PRODUCTS

产物

反应SMILES：CCCCCCCN(CC)C(=O)Cc1ccc([N+](=O)[O-])cc1

HCID19873419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9ce1806be1464fba80f9e7cca6462447
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[CH2:14]([CH3:15])[NH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23].[CH2:35]([N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44])[CH3:45].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[ClH:34].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:10][C:11](=[O:12])[OH:13])[cH:8][cH:9]1.[OH:24][n:25]1[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:10][C:11](=[O:13])[N:16]([CH2:14][CH3:15])[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[cH:8][cH:9]1