HRID688603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID589833

2-Chloro-3-(trifluoromethyl)pyridine

C6H3ClF3N

HCID22397499

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccc(Cl)c(Cl)c1)C1CCN(c2ncccc2C(F)(F)F)CC1

HCID68550531

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c7d9f58b62b4848a92bf307c2250f39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:38]1[O:39][CH2:40][CH2:41][O:42][CH2:43]1.[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cl-:44].[Cl:18][c:19]1[n:20][cH:21][cH:22][cH:23][c:24]1[C:25]([F:26])([F:27])[F:28].[Cl:1][c:2]1[cH:3][c:4]([S:9](=[O:10])(=[O:11])[CH:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[cH:5][cH:6][c:7]1[Cl:8].[NH4+:45]>>[Cl:1][c:2]1[cH:3][c:4]([S:9](=[O:10])(=[O:11])[CH:12]2[CH2:13][CH2:14][N:15]([c:19]3[n:20][cH:21][cH:22][cH:23][c:24]3[C:25]([F:26])([F:27])[F:28])[CH2:16][CH2:17]2)[cH:5][cH:6][c:7]1[Cl:8]