HRID2154171

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID24841

Hydrogen iodide

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID2757234

未命名化合物

HCID5360545

Sodium

HCID22393635

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(C#N)(CCCN1CCC(NC(=O)OC(C)(C)C)C1)c1ccc(C#N)s1

HCID22393794

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ebb2ce99232465fb52f6b8a1c617114
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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