HRID213131

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-

HCID3016537

4-Bromo-2-chloroanisole

C7H6BrClO

HCID21938596

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

HCID21062272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8c8ae875e06b45709ea4a4efde5aadea
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

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