HRID200016

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6497

Dimethyl sulfate

C2H6O4S

HCID8028

Tetrahydrofuran

C4H8O

HCID12679

Hexamethylphosphoramide

C6H18N3OP

结构：C=CCC1C(C(C)(C)O)C(=O)N1C(C(=O)OC)=C(C)C

HCID20220056

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：C=CCC1C(C(C)(C)OC)C(=O)N1C(C(=O)OC)=C(C)C

HCID20220088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb07da44dac54ccaad4e3c685827f0eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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