HRID184779

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

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

HCID806422

1-Allylpiperazine

C7H14N2

结构：CC(C)c1ccc(S(=O)(=O)Oc2ccc(Cl)nc2)cc1

HCID86606504

未命名化合物

PRODUCTS

生成物

结构：C=CCN1CCN(c2ccc(OS(=O)(=O)c3ccc(C(C)C)cc3)cn2)CC1

HCID54674950

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ab6dd4a85e94048868acffbe559b2c8
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

[CH2:47]([CH:48]=[CH2:49])[N:50]1[CH2:51][CH2:52][NH:53][CH2:54][CH2:55]1.[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[Cl:56][c:57]1[cH:58][cH:59][c:60]([O:63][S:64](=[O:65])(=[O:66])[c:67]2[cH:68][cH:69][c:70]([CH:73]([CH3:74])[CH3:75])[cH:71][cH:72]2)[cH:61][n:62]1.[O-:84][C:85]([CH3:86])=[O:87].[O-:88][C:89]([CH3:90])=[O:91].[Pd+2:83].[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>>[CH2:47]([CH:48]=[CH2:49])[N:50]1[CH2:51][CH2:52][N:53]([c:57]2[cH:58][cH:59][c:60]([O:63][S:64](=[O:65])(=[O:66])[c:67]3[cH:68][cH:69][c:70]([CH:73]([CH3:74])[CH3:75])[cH:71][cH:72]3)[cH:61][n:62]2)[CH2:54][CH2:55]1