HRID811814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID244

Benzyl alcohol

C7H8O

HCID7237

o-Xylene

C8H10

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID74265

1,10-Phenanthroline, 3,4,7,8-tetramethyl-

C16H16N2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC1(C)OCC(c2ccc3cc(Br)ccc3c2)([N+](=O)[O-])CO1

HCID70700546

5-(6-Bromonaphthalen-2-yl)-2,2-dimethyl-5-nitro-1,3-dioxane

C16H16BrNO4

PRODUCTS

生成物

结构：CC1(C)OCC(c2ccc3cc(OCc4ccccc4)ccc3c2)([N+](=O)[O-])CO1

HCID70700545

5-[6-(Benzyloxy)naphthalen-2-yl]-2,2-dimethyl-5-nitro-1,3-dioxane

C23H23NO5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38aa2cc0b5394d6ebe76be2042c38456
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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