HRID89896

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID7973

2-Bromopyridine

C5H4BrN

HCID8028

Tetrahydrofuran

C4H8O

HCID107332

Butanoic acid, 2-chloro-3-oxo-, methyl ester

C5H7ClO3

HCID166653

Hydride

H-

HCID2773389

4-bromo-2-fluoro-1-isopropoxybenzene

C9H10BrFO

HCID68866497

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cl)C(=O)CC(O)(CCc1ccc(OC(C)C)c(F)c1)C1CCCC1

HCID58762410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b59e7ee6ff945da8e42f4fda799b931
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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