HRID1575945

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID962

Water

H2O

结构：CC(=O)OC1(C(C)=O)CCC2C3C(OS(C)(=O)=O)C(Cl)C4=CC(=O)OCC4(C)C3CCC21C

HCID178475511

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)OCC4(C)C3CCC21C

HCID13786638

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f25420ea9e534fbb8f26ef5d06286bdb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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