HRID167103

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID79664

Phenyl vinyl sulfone

C8H8O2S

HCID105144

Palladium(2+)

Pd+2

结构：O=C1CN(c2ccc(I)cc2OCc2ccccc2)S(=O)(=O)N1

HCID68838643

未命名化合物

PRODUCTS

生成物

结构：O=C1CN(c2ccc(C=CS(=O)(=O)c3ccccc3)cc2OCc2ccccc2)S(=O)(=O)N1

HCID68839041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9bc2ff9c9fa42159c60289ba7cac92b
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

[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:23])[NH:19][S:20]2(=[O:21])=[O:22])[cH:11][cH:12][c:13]([I:15])[cH:14]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][C:43]#[N:44].[CH:24](=[CH2:25])[S:26](=[O:27])(=[O:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[O-:46][C:47]([CH3:48])=[O:49].[O-:50][C:51]([CH3:52])=[O:53].[Pd+2:45]>>[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:23])[NH:19][S:20]2(=[O:21])=[O:22])[cH:11][cH:12][c:13]([CH:25]=[CH:24][S:26](=[O:27])(=[O:28])[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:14]1