HRID315773

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID27909

2-Methyl-3-butenenitrile

C5H7N

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：CC(C#N)C=Cc1ccc(N2CC(=O)NS2(=O)=O)c(OCc2ccccc2)c1

HCID68922600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cf55b58053842059b33fc87208de5b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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