HRID185702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID24874

2-Butanamine

C4H11N

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

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

HCID634876

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

C44H32P2

反应SMILES：CCCS(=O)(=O)c1cc(C(=O)OC)cc(Cl)n1

HCID86615002

未命名化合物

PRODUCTS

产物

反应SMILES：CCCS(=O)(=O)c1cc(C(=O)OC)cc(NC(C)CC)n1

HCID68816241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1359f27df7864f9c893cca5768448763
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[C:64](=[O:65])([O-:66])[O-:67].[C:75]([O-:76])(=[O:77])[CH3:78].[C:80]([O-:81])(=[O:82])[CH3:83].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([Cl:16])[n:7][c:8]([S:10](=[O:11])(=[O:12])[CH2:13][CH2:14][CH3:15])[cH:9]1)=[O:17].[CH3:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[CH:70]([CH3:71])([CH2:72][CH3:73])[NH2:74].[Cs+:68].[Cs+:69].[Pd+2:79].[c:18]1([P:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][c:29]3[c:30]([cH:31][cH:32][cH:33][cH:34]3)[c:35]2-[c:36]2[c:37]3[c:38]([cH:39][cH:40][cH:41][cH:42]3)[cH:43][cH:44][c:45]2[P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([NH:74][CH:70]([CH3:71])[CH2:72][CH3:73])[n:7][c:8]([S:10](=[O:11])(=[O:12])[CH2:13][CH2:14][CH3:15])[cH:9]1)=[O:17]