HRID676631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：O=C(O)c1ccccc1C(=O)c1ccc(O)c([N+](=O)[O-])c1

HCID225705

2-(4-hydroxy-3-nitrobenzoyl)benzoic acid

C14H9NO6

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)c1ccccc1C(=O)c1ccc(O)c([N+](=O)[O-])c1

HCID67045173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f4ac3ecc04d446caf33de3cbbe0e325
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:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[C:22](=[O:23])([O-:24])[O-:25].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cs+:26].[Cs+:27].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:60].[OH:1][c:2]1[c:3]([N+:19](=[O:20])[O-:21])[cH:4][c:5]([C:8](=[O:9])[c:10]2[c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16][cH:17][cH:18]2)[cH:6][cH:7]1.[OH:36][C:37]([CH2:38][C:39]([C:40](=[O:41])[OH:42])([CH2:43][C:44](=[O:45])[OH:46])[OH:47])=[O:48]>>[OH:1][c:2]1[c:3]([N+:19](=[O:20])[O-:21])[cH:4][c:5]([C:8](=[O:9])[c:10]2[c:11]([C:12](=[O:13])[O:14][CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:15][cH:16][cH:17][cH:18]2)[cH:6][cH:7]1