HRID168564

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID105144

Palladium(2+)

Pd+2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

结构：C[Si](C)(C)CCN1C(=O)CN(c2ccc(I)cc2OCc2ccccc2)S1(=O)=O

HCID66756937

未命名化合物

HCID68839934

未命名化合物

PRODUCTS

生成物

结构：C[Si](C)(C)CCN1C(=O)CN(c2ccc(C=CC3CCCN3S(=O)(=O)c3ccccc3)cc2OCc2ccccc2)S1(=O)=O

HCID68842270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55cde1acd0444bb2be9394c20085b772
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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