HRID693243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

2 次

HCID971

Oxalic acid

C2H2O4

HCID1049

Pyridine

C5H5N

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID27054

2-(2-Nitrophenyl)ethanol

C8H9NO3

PRODUCTS

生成物

HCID10844764

2-(2-nitrophenyl)acetaldehyde

C8H7NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e8cdbfde21f45dca9c2ffeb2d76716c
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

[C:43]([OH:44])(=[O:45])[C:46]([OH:47])=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:61][S:62](=[O:63])[CH3:64].[CH:26]1([N:27]=[C:28]=[N:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1.[N+:14](=[O:15])([O-:16])[c:17]1[c:18]([CH2:23][CH2:24][OH:25])[cH:19][cH:20][cH:21][cH:22]1.[OH2:41].[OH2:42].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7].[cH:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[cH:8]1[cH:9][cH:10][n:11][cH:12][cH:13]1>>[N+:14](=[O:15])([O-:16])[c:17]1[c:18]([CH2:23][CH:24]=[O:25])[cH:19][cH:20][cH:21][cH:22]1