HRID306449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID245494

Methyl 2-bromo-5-nitrobenzoate

C8H6BrNO4

HCID2773253

2-Benzyloxyphenylboronic acid

C13H13BO3

PRODUCTS

生成物

结构：COC(=O)c1cc([N+](=O)[O-])ccc1-c1ccccc1OCc1ccccc1

HCID58026868

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0791bd43fa8d47ccb8e36ec414b7f2c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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