HRID685176

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7498

alpha-Bromotoluene

C7H7Br

HCID19660

Carbonate

CO3-2

结构：Cc1cc([N+](=O)[O-])c2c(c1Oc1ccc(O)c(C=O)c1)CCC2

HCID23031104

未命名化合物

PRODUCTS

生成物

结构：Cc1cc([N+](=O)[O-])c2c(c1Oc1ccc(OCc3ccccc3)c(C=O)c1)CCC2

HCID23031138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca27fae53f1248669ad2ea5d67fa04a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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