HRID681287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID2762778

3-Bromo-2-fluoropyridine

C5H3BrFN

HCID9964078

4-Formyltetrahydropyran

C6H10O2

PRODUCTS

生成物

HCID59327031

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8cf14cb2885944beb30efa438202ab7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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