HRID104754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID8083

Morpholine

C4H9NO

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

HCID3294148

Methyl 4-bromo-3-methylbenzoate

C9H9BrO2

PRODUCTS

生成物

HCID67528858

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46c664ef13794c808681e832b24f2a6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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