HRID174338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID2734379

Pyridine-4-boronic acid

C5H6BNO2

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

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

HCID67155587

1-Bromo-2-methyl-5-(1-methylethoxy)-4-nitrobenzene

C10H12BrNO3

PRODUCTS

生成物

结构：Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-c1ccncc1

HCID59764545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-713fa09128354d57acd8e277a70a8864
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:15])[cH:4][c:5]([N+:12](=[O:13])[O-:14])[c:6]([O:8][CH:9]([CH3:10])[CH3:11])[cH:7]1.[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.[K+:59].[K+:60].[K+:61].[O:63]1[CH2:64][CH2:65][O:66][CH2:67][CH2:68]1.[OH2:62].[P:54]([O-:55])([O-:56])([O-:57])=[O:58].[n:16]1[cH:17][cH:18][c:19]([B:22]([OH:23])[OH:24])[cH:20][cH:21]1>>[c:2]1(-[c:19]2[cH:18][cH:17][n:16][cH:21][cH:20]2)[c:3]([CH3:15])[cH:4][c:5]([N+:12](=[O:13])[O-:14])[c:6]([O:8][CH:9]([CH3:10])[CH3:11])[cH:7]1