HRID105399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID4351123

未命名化合物

结构：CCOC(=O)C1=C(O)c2cc(Cl)ccc2C(C)(C)C1=O

HCID67099655

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C1=C(O)c2cc(Cl)ccc2C(C)(C)C1=O)C(=O)OC(C)(C)C

HCID178464944

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3de86aca5af247b28b6879a13d8b35f1
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]([CH:28]([NH2:29])[CH3:30])=[O:31].[CH2:32]1[O:33][CH2:34][CH2:35][O:36][CH2:37]1.[CH2:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH:43]([CH3:44])[CH3:45])[CH3:46].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8]([CH3:12])([CH3:13])[C:7](=[O:14])[C:6]([C:15](=[O:16])[O:17][CH2:18][CH3:19])=[C:5]2[OH:20].[ClH:21]>>[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8]([CH3:12])([CH3:13])[C:7](=[O:14])[C:6]([C:15](=[O:16])[NH:29][CH:28]([C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:31])[CH3:30])=[C:5]2[OH:20]