HRID172204

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID81110

5-Chloro-2-nitroanisole

C7H6ClNO3

HCID3697076

8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro[4.5]dec-7-ene

C14H23BO4

PRODUCTS

生成物

结构：COc1cc(C2=CCC3(CC2)OCCO3)ccc1[N+](=O)[O-]

HCID59452589

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec4958c9ae3c4b38a96af423d0c89380
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

[C:32](=[O:33])([O-:34])[O-:35].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([C:9]2=[CH:10][CH2:11][C:12]3([O:13][CH2:14][CH2:15][O:16]3)[CH2:17][CH2:18]2)[O:19]1.[Cl:20][c:21]1[cH:22][cH:23][c:24]([N+:29](=[O:30])[O-:31])[c:25]([O:27][CH3:28])[cH:26]1.[Na+:36].[Na+:37].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH2:38].[Pd:45]([Cl:46])[Cl:47].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1>>[C:9]1([c:21]2[cH:22][cH:23][c:24]([N+:29](=[O:30])[O-:31])[c:25]([O:27][CH3:28])[cH:26]2)=[CH:10][CH2:11][C:12]2([O:13][CH2:14][CH2:15][O:16]2)[CH2:17][CH2:18]1