HRID1547347

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID8078

Cyclohexane

C6H12

HCID28486

Lithium ion

Li+

HCID136743

Methyl 4-methylphenylsulfoxide

C8H10OS

HCID5062348

未命名化合物

HCID20796120

1,1,1-Trifluoro-4-(5-fluoro-2-methylphenyl)-4-methylpentan-2-one

C13H14F4O

PRODUCTS

生成物

结构：Cc1ccc(S(=O)CC(O)(CC(C)(C)c2cc(F)ccc2C)C(F)(F)F)cc1

HCID69807084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91865c9de9a34b5aa761b1a591614ecd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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