HRID176457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID947

Nitrogen

HCID7912

Diisopropylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID15413

Methyl tert-butyl ether

C5H12O

HCID16239

(+/-)-3-Butyn-2-ol

C4H6O

HCID24350

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

CuI

HCID2737345

3-(4-fluorophenoxy)iodobenzene

C12H8FIO

PRODUCTS

生成物

HCID19704522

4-[3-(4-Fluorophenoxy)phenyl]but-3-yn-2-ol

C16H13FO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e1f2bb9276b45a89efe22ec32648d84
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

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