HRID204305

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

HCID69828

Cyclopropanamine

C3H7N

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

HCID86612064

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(NC2CC2)nc(N(C)S(C)(=O)=O)c1

HCID68818381

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab2545fc2d574f2ab6983458e3ecb282
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:47](=[O:48])([O-:49])[O-:50].[C:74]([O-:75])(=[O:76])[CH3:77].[C:79]([O-:80])(=[O:81])[CH3:82].[CH3:53][O:54][C:55]([c:56]1[cH:57][c:58]([Cl:68])[n:59][c:60]([N:62]([CH3:63])[S:64](=[O:65])(=[O:66])[CH3:67])[cH:61]1)=[O:69].[CH3:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[CH:70]1([NH2:73])[CH2:71][CH2:72]1.[Cs+:51].[Cs+:52].[Pd+2:78].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:14][cH:15][cH:16][cH:17]3)[c:18]2-[c:19]2[c:20]3[c:21]([cH:22][cH:23][cH:24][cH:25]3)[cH:26][cH:27][c:28]2[P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[CH3:53][O:54][C:55]([c:56]1[cH:57][c:58]([NH:73][CH:70]2[CH2:71][CH2:72]2)[n:59][c:60]([N:62]([CH3:63])[S:64](=[O:65])(=[O:66])[CH3:67])[cH:61]1)=[O:69]