HRID176716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID7912

Diisopropylamine

C6H15N

HCID13831

Tributylphosphine

C12H27P

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID546059

5-Bromothiazole

C3H2BrNS

HCID58124912

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=O)N(CCCOCC#Cc1cncs1)C(C)(C)C

HCID58124884

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bed78cdd6ae74d9c83b5ab769a557240
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

[Br:20][c:21]1[cH:22][n:23][cH:24][s:25]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]([C:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])=[O:12])[CH2:13][CH2:14][CH2:15][O:16][CH2:17][C:18]#[CH:19].[CH2:33]([P:34]([CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH3:45].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH:26]([NH:27][CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[Cl-:59].[Cu:61][I:62].[NH4+:60].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]([C:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])=[O:12])[CH2:13][CH2:14][CH2:15][O:16][CH2:17][C:18]#[C:19][c:21]1[cH:22][n:23][cH:24][s:25]1