HRID303344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7912

Diisopropylamine

C6H15N

HCID24350

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

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID546059

5-Bromothiazole

C3H2BrNS

HCID58124829

未命名化合物

PRODUCTS

生成物

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

HCID58124907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-779def71eafd42a785e1016b833ebda8
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

[Br:19][c:20]1[cH:21][n:22][cH:23][s:24]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][O:15][CH2:16][C:17]#[CH:18].[C:32]([P:33]([C:34]([CH3:35])([CH3:36])[CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])([CH3:42])([CH3:43])[CH3:44].[CH:25]([NH:26][CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[Cl-:45].[Cu:53][I:54].[NH4+:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]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][O:15][CH2:16][C:17]#[C:18][c:20]1[cH:21][n:22][cH:23][s:24]1