HRID293643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID30165

Iodide ion

I-

HCID3280088

未命名化合物

结构：c1ccc([P+](CC2CCOCC2)(c2ccccc2)c2ccccc2)cc1

HCID21094224

未命名化合物

HCID46856411

Ethyl [4-(cyclopropylsulfanyl)phenyl](oxo)acetate

C13H14O3S

PRODUCTS

生成物

结构：CCOC(=O)C(=CC1CCOCC1)c1ccc(SC2CC2)cc1

HCID67484543

Ethyl 4-(cyclopropylthio)-α-[(tetrahydro-2H-pyran-4-yl)methylene]benzeneacetate

C19H24O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c866f4c4f4f4fc7923da685c809a4ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:2][Si:3]([N-:4][Si:5]([CH3:6])([CH3:7])[CH3:8])([CH3:9])[CH3:10].[CH:38]1([S:41][c:42]2[cH:43][cH:44][c:45]([C:48]([C:49](=[O:50])[O:51][CH2:52][CH3:53])=[O:54])[cH:46][cH:47]2)[CH2:39][CH2:40]1.[ClH:55].[I-:11].[Li+:1].[OH2:61].[c:12]1([P+:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:26]2)([CH2:19][CH:20]2[CH2:21][CH2:22][O:23][CH2:24][CH2:25]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[CH:19]([CH:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1)=[C:48]([c:45]1[cH:44][cH:43][c:42]([S:41][CH:38]2[CH2:39][CH2:40]2)[cH:47][cH:46]1)[C:49](=[O:50])[O:51][CH2:52][CH3:53]