HRID2343295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID8083

Morpholine

C4H9NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID123546

4-Bromo-2-nitrotoluene

C7H6BrNO2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

PRODUCTS

生成物

HCID21955888

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a74d500b4f84e67b372a1cee109cec5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([N+:9](=[O:10])[O-:11])[c:5]([CH3:8])[cH:6][cH:7]1.[C:18](=[O:19])([O-:20])[O-:21].[C:24]([P:25]([C:26]([CH3:27])([CH3:28])[CH3:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][c:35]1-[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)([CH3:42])([CH3:43])[CH3:44].[C:52]([O-:53])(=[O:54])[CH3:55].[C:56]([O-:57])(=[O:58])[CH3:59].[CH2:12]1[CH2:13][O:14][CH2:15][CH2:16][NH:17]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Cs+:22].[Cs+:23].[Pd+2:60]>>[c:2]1([N:17]2[CH2:12][CH2:13][O:14][CH2:15][CH2:16]2)[cH:3][c:4]([N+:9](=[O:10])[O-:11])[c:5]([CH3:8])[cH:6][cH:7]1