HRID290183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28486

Lithium ion

Li+

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CCOC(=O)C(=CC=C(C)CCC=C(C)CCC=C(C)CO)C(C)C

HCID54363154

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=CC=C(C)CCC=C(C)CCC=C(C)CCl)C(C)C

HCID54546229

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b62bfd87d0c645f09c4717e2f434a11a
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

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