HRID1129145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID887

Methanol

CH4O

HCID6356

Boron trifluoride

BF3

HCID7918

Acetic anhydride

C4H6O3

HCID11902

2-Furancarboxylic acid, methyl ester

C6H6O3

HCID82219

Molybdenum fluoride (MoF6), (OC-6-11)-

F6Mo

HCID169922

Methyl oxolane-2-carboxylate

C6H10O3

HCID5460504

Phosphonium

H4P+

HCID13769947

Methyl 2-(acetyloxy)-5-bromopentanoate

C8H13BrO4

HCID13769950

Methyl 5-bromo-2,2-difluoropentanoate

C6H9BrF2O2

PRODUCTS

生成物

HCID13769951

5-Bromo-2,2-difluoropentanoic acid

C5H7BrF2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce7849db813f432483b6b862d9ff3345
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[BrH:55].[CH3:11][O:12][C:13]([CH:14]1[CH2:15][CH2:16][CH2:17][O:18]1)=[O:19].[CH3:20][O:21][C:22](=[O:23])[CH:24]([O:25][C:26](=[O:27])[CH3:28])[CH2:29][CH2:30][CH2:31][Br:32].[CH3:33][C:34]([O:35][C:36](=[O:37])[CH3:38])=[O:39].[CH3:40][O:41][C:42]([C:43]([CH2:44][CH2:45][CH2:46][Br:47])([F:48])[F:49])=[O:50].[CH3:63][OH:64].[F:51][B:52]([F:53])[F:54].[F:56][Mo:57]([F:58])([F:59])([F:60])([F:61])[F:62].[PH4+:1].[o:2]1[cH:3][cH:4][cH:5][c:6]1[C:7]([O:8][CH3:9])=[O:10]>>[O:41]=[C:42]([C:43]([CH2:44][CH2:45][CH2:46][Br:47])([F:48])[F:49])[OH:50]