HRID282441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID3786531

3,4,5-Trichloropyridine

C5H2Cl3N

HCID18538636

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(S(=O)(=O)C2CCN(c3c(Cl)cncc3Cl)CC2)cc1

HCID68550912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1551501cd8d4d09aba87340a6ed094f
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

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