HRID1146140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

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

HCID2778497

1-(difluoromethoxy)-4-ethynylbenzene

C9H6F2O

HCID57435879

未命名化合物

PRODUCTS

生成物

结构：FCCCC(F)c1cccc(C#Cc2ccc(OC(F)F)cc2)c1

HCID59790337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83c8ed1fcdd34d848055a045ff0176e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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