HRID143727

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID12370

1-Octyne

C8H14

HCID14487

Diisobutylaluminum hydride

C8H19Al

HCID15007058

未命名化合物

PRODUCTS

生成物

结构：CCCCCCC=CC(O)c1nc2ccc(F)cc2c(OC(C)=O)c1C

HCID54050628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e38bcec8e99f45ee9e6fffa92cf43437
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][CH:2]([CH2:3][AlH:4][CH2:5][CH:6]([CH3:7])[CH3:8])[CH3:9].[CH3:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42].[CH:10]#[C:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17].[CH:18](=[O:19])[c:20]1[n:21][c:22]2[cH:23][cH:24][c:25]([F:35])[cH:26][c:27]2[c:28]([O:31][C:32]([CH3:33])=[O:34])[c:29]1[CH3:30].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:36]>>[CH:10](=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[CH:18]([OH:19])[c:20]1[n:21][c:22]2[cH:23][cH:24][c:25]([F:35])[cH:26][c:27]2[c:28]([O:31][C:32]([CH3:33])=[O:34])[c:29]1[CH3:30]