HRID206094

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID15538

tert-Butyl 3-oxobutanoate

C8H14O3

HCID166653

Hydride

H-

结构：CC(C)C(C=CC=O)=C(c1ccc(F)cc1)c1ccc(F)cc1

HCID53873949

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)C(C=CC(O)CC(=O)CC(=O)OC(C)(C)C)=C(c1ccc(F)cc1)c1ccc(F)cc1

HCID53726151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-564f252b32f74688a9a6885da89538ef
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:24]([CH2:25][C:26](=[O:27])[CH3:28])(=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34].[CH2:37]([Li:38])[CH2:39][CH2:40][CH3:41].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[C:9]([CH:10]=[CH:11][CH:12]=[O:13])[CH:14]([CH3:15])[CH3:16])[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:6][cH:7]1.[H-:35].[Na+:36].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[C:9]([CH:10]=[CH:11][CH:12]([OH:13])[CH2:28][C:26]([CH2:25][C:24](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:27])[CH:14]([CH3:15])[CH3:16])[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:6][cH:7]1