HRID189999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID4661

4-Nitrophenylacetic acid

C8H7NO4

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID54682930

2H-1-Benzopyran-2-one, 4-hydroxy-

C9H6O3

PRODUCTS

生成物

结构：O=C(Cc1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O

HCID54712383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d0e320faee34c798900d6ede8b21b84
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

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