HRID812883

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID2777085

4,4,4-Trifluorobutyric Acid

C4H5F3O2

HCID4067177

benzylthiobromomethane

C8H9BrS

HCID5062348

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

HCID19938461

4,4,4-Trifluoro-2-[[(phenylmethyl)thio]methyl]butanoic acid

C12H13F3O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f442bc31faa4478c8b74057cf1b74ae3
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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