HRID188186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID996

Phenol

C6H6O

HCID8150

Diethylene glycol dimethyl ether

C6H14O3

HCID166653

Hydride

H-

结构：Cc1nc(Cl)c([N+](=O)[O-])c(NCCOCCCc2cccnc2)c1C

HCID21914006

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(Oc2ccccc2)c([N+](=O)[O-])c(NCCOCCCc2cccnc2)c1C

HCID21913946

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1acd629e71cd44aebd33e3cb9387b7c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:35][O:36][CH2:37][CH2:38][O:39][CH2:40][CH2:41][O:42][CH3:43].[Cl:10][c:11]1[n:12][c:13]([CH3:34])[c:14]([CH3:33])[c:15]([NH:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][CH2:26][c:27]2[cH:28][n:29][cH:30][cH:31][cH:32]2)[c:16]1[N+:17](=[O:18])[O-:19].[H-:1].[Na+:2].[OH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[O:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[c:11]1[n:12][c:13]([CH3:34])[c:14]([CH3:33])[c:15]([NH:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][CH2:26][c:27]2[cH:28][n:29][cH:30][cH:31][cH:32]2)[c:16]1[N+:17](=[O:18])[O-:19]