HRID152296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID13139

Diethyl phosphorochloridate

C4H10ClO3P

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

HCID11708355

1-(4,4-dimethylthiochroman-6-yl)ethanone

C13H16OS

HCID178418339

未命名化合物

PRODUCTS

生成物

HCID10932539

6-Ethynyl-4,4-dimethylthiochroman

C13H14S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2cb489a304544a0fa8fdc1a48e6170a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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