HRID119612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID151417

Glycine tert-butyl ester

C6H13NO2

结构：CCOC(=O)C1=C(O)c2c(Cl)cccc2C(C)(C)C1=O

HCID67099489

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CNC(=O)C1=C(O)c2c(Cl)cccc2C(C)(C)C1=O

HCID86629259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45db2c970dbc42b4aaa1b03bfeabd9bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27]([CH2:28][NH2:29])=[O:30].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[c:3]2[c:8]([cH:9][cH:10][cH:11]1)[C:7]([CH3:12])([CH3:13])[C:6](=[O:14])[C:5]([C:15](=[O:16])[O:17][CH2:18][CH3:19])=[C:4]2[OH:20].[ClH:21].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1>>[Cl:1][c:2]1[c:3]2[c:8]([cH:9][cH:10][cH:11]1)[C:7]([CH3:12])([CH3:13])[C:6](=[O:14])[C:5]([C:15](=[O:16])[NH:29][CH2:28][C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:30])=[C:4]2[OH:20]