HRID1210530

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID996

Phenol

C6H6O

HCID8150

Diethylene glycol dimethyl ether

C6H14O3

HCID166653

Hydride

H-

结构：Cc1nc(Cl)c([N+](=O)[O-])c(NCCNC(=O)OC(C)(C)C)c1C

HCID21973801

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(Oc2ccccc2)c([N+](=O)[O-])c(NCCNC(=O)OC(C)(C)C)c1C

HCID21973823

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9447815e12742da84049da000ca1d98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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