HRID214035

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

HCID13036

2,4,6-Trimethylstyrene

C11H14

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：Cc1cc(C)c(C(C)c2ccc(N3CC(=O)NS3(=O)=O)c(OCc3ccccc3)c2)c(C)c1

HCID68843359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a988f3a32945430a9a3fd9b847ce73e7
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

[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][c:20]1[c:21]([N:27]2[CH2:28][C:29](=[O:34])[NH:30][S:31]2(=[O:32])=[O:33])[cH:22][cH:23][c:24]([I:26])[cH:25]1.[CH3:1][c:2]1[c:3]([CH:10]=[CH2:11])[c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][C:43]#[N:44].[O-:46][C:47]([CH3:48])=[O:49].[O-:50][C:51]([CH3:52])=[O:53].[Pd+2:45]>>[CH3:1][c:2]1[c:3]([CH:10]([CH3:11])[c:24]2[cH:23][cH:22][c:21]([N:27]3[CH2:28][C:29](=[O:34])[NH:30][S:31]3(=[O:32])=[O:33])[c:20]([O:19][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[cH:25]2)[c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1