HRID1208561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7746

Hex-1-yn-3-ol

C6H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID46834772

未命名化合物

PRODUCTS

生成物

结构：C#CC(CCC)Oc1cc2c(c(F)c1F)OC(CCCCC)CC2

HCID58151900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d65d0151480e4f448c317e75da50a4bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH:19]#[C:20][CH:21]([CH2:22][CH2:23][CH3:24])[OH:25].[F:1][c:2]1[c:3]([OH:18])[cH:4][c:5]2[c:10]([c:11]1[F:12])[O:9][CH:8]([CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[CH2:7][CH2:6]2.[O:45]=[C:46]([O:47][CH:48]([CH3:49])[CH3:50])[N:51]=[N:52][C:53]([O:54][CH:55]([CH3:56])[CH3:57])=[O:58].[OH2:64].[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[F:1][c:2]1[c:3]([O:18][CH:21]([C:20]#[CH:19])[CH2:22][CH2:23][CH3:24])[cH:4][c:5]2[c:10]([c:11]1[F:12])[O:9][CH:8]([CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[CH2:7][CH2:6]2