HRID954299

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID83413

2-Trimethylsilyl-1,3-dithiane

C7H16S2Si

结构：COc1ccc(C2(C#N)CCC(=O)CC2)cc1OC1CCCC1

HCID9861604

1-[3-(Cyclopentyl-oxy)-4-methoxy-phenyl]-4-oxocyclohexane carbonitrile

C19H23NO3

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COc1ccc(C2(C#N)CCC(=C3SCCCS3)CC2)cc1OC1CCCC1

HCID10788017

2-[4-Cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexylidene]-1,3-dithiane

C23H29NO2S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd9626f9549243568a60cd898a9bae86
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:16](#[N:17])[C:18]1([c:25]2[cH:26][c:27]([O:33][CH:34]3[CH2:35][CH2:36][CH2:37][CH2:38]3)[c:28]([O:31][CH3:32])[cH:29][cH:30]2)[CH2:19][CH2:20][C:21](=[O:24])[CH2:22][CH2:23]1.[CH2:11]([Li:12])[CH2:13][CH2:14][CH3:15].[CH3:1][Si:2]([CH:3]1[S:4][CH2:5][CH2:6][CH2:7][S:8]1)([CH3:9])[CH3:10].[Cl-:40].[Na+:39].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH2:46]>>[C:3]1(=[C:21]2[CH2:20][CH2:19][C:18]([C:16]#[N:17])([c:25]3[cH:26][c:27]([O:33][CH:34]4[CH2:35][CH2:36][CH2:37][CH2:38]4)[c:28]([O:31][CH3:32])[cH:29][cH:30]3)[CH2:23][CH2:22]2)[S:4][CH2:5][CH2:6][CH2:7][S:8]1