HRID144411

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

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID29147

4-Nitrobenzylamine

C7H8N2O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID231363

8-hydroxyquinoline-7-carboxylic acid

C10H7NO3

PRODUCTS

生成物

结构：O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc2cccnc2c1O

HCID18372686

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ad1df029bf24ce2b48c57a82a0cb85a
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

[CH3:37][N:38]([CH3:39])[CH2:40][CH2:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH3:47].[CH:27]([N:28]([CH:29]([CH3:30])[CH3:31])[CH2:32][CH3:33])([CH3:34])[CH3:35].[ClH:15].[ClH:36].[N+:16](=[O:17])([O-:18])[c:19]1[cH:20][cH:21][c:22]([CH2:23][NH2:24])[cH:25][cH:26]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:48].[OH2:59].[OH:1][c:2]1[c:3]([C:12](=[O:13])[OH:14])[cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][n:10][c:11]12.[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[OH:1][c:2]1[c:3]([C:12](=[O:14])[NH:24][CH2:23][c:22]2[cH:21][cH:20][c:19]([N+:16](=[O:17])[O-:18])[cH:26][cH:25]2)[cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][n:10][c:11]12