HRID310245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID7848

1-Propanethiol

C3H8S

HCID19660

Carbonate

CO3-2

HCID93237

Methyl 2,6-dichloroisonicotinate

C7H5Cl2NO2

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

PRODUCTS

生成物

HCID86081340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c0d551177b14ab49dbdddbcac583636
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:59](=[O:60])([O-:61])[O-:62].[C:74]([O-:75])(=[O:76])[CH3:77].[C:79]([O-:80])(=[O:81])[CH3:82].[CH2:65]([CH2:66][CH3:67])[SH:68].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([Cl:11])[n:7][c:8]([Cl:10])[cH:9]1)=[O:12].[CH3:69][CH2:70][O:71][CH2:72][CH3:73].[CH3:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[Cs+:63].[Cs+:64].[Pd+2:78].[c:13]1([P:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][c:24]3[c:25]([cH:26][cH:27][cH:28][cH:29]3)[c:30]2-[c:31]2[c:32]3[c:33]([cH:34][cH:35][cH:36][cH:37]3)[cH:38][cH:39][c:40]2[P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([S:68][CH2:65][CH2:66][CH3:67])[n:7][c:8]([Cl:10])[cH:9]1)=[O:12]