HRID2342843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6340

Ethane, iodo-

C2H5I

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

HCID19689365

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

HCID53948889

(4-Chlorophenyl){4-[1-(methylsulfanyl)propyl]phenyl}methanone

C17H17ClOS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff80baeb34124df6b7a6fa8ebe6200e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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