HRID119365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID9590

1-Fluoro-4-nitrobenzene

C6H4FNO2

HCID102568

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCCCC(Nc1ccc([N+](=O)[O-])cc1)C(=O)O)OCc1ccccc1

HCID178523301

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bafe99502f04c529e4185169a5abb2c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:23](=[O:24])([OH:25])[O-:26].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]([NH2:17])[C:18](=[O:19])[OH:20].[CH3:40][CH2:41][OH:42].[ClH:38].[F:28][c:29]1[cH:30][cH:31][c:32]([N+:35](=[O:36])[O-:37])[cH:33][cH:34]1.[Na+:22].[Na+:27].[OH-:21].[OH2:39]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]([NH:17][c:29]1[cH:30][cH:31][c:32]([N+:35](=[O:36])[O-:37])[cH:33][cH:34]1)[C:18](=[O:19])[OH:20]