HRID2132282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID2756993

2-Bromo-4-fluoro-1-nitrobenzene

C6H3BrFNO2

HCID2773496

2-Methoxycarbonylphenylboronic acid

C8H9BO4

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

HCID178476743

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccccc1-c1cc(F)ccc1[N+](=O)[O-]

HCID67296936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a45968bceaa54d9cb150a9b28a0cba06
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:14][c:15]1[c:16]([N+:22](=[O:23])[O-:24])[cH:17][cH:18][c:19]([F:21])[cH:20]1.[C:63]([O:64][Pd:65][O:66][C:67](=[O:68])[CH3:69])(=[O:70])[CH3:71].[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([B:11]([OH:12])[OH:13])[cH:7][cH:8][cH:9][cH:10]1.[CH3:72][CH2:73][OH:74].[CH:25]1([P:26]([CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2-[c:39]2[c:40]([O:41][CH3:42])[cH:43][cH:44][cH:45][c:46]2[O:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1.[Cl:60][CH2:61][Cl:62].[Na+:54].[Na+:55].[O-:56][C:57](=[O:58])[O-:59]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6](-[c:15]2[c:16]([N+:22](=[O:23])[O-:24])[cH:17][cH:18][c:19]([F:21])[cH:20]2)[cH:7][cH:8][cH:9][cH:10]1