HRID679519

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

HCID416960

Methyl 2-amino-3-hydroxypropanoate

C4H9NO3

结构：CCOC(=O)C1=C(O)c2cc(Cl)ccc2C2(CCOCC2)C1=O

HCID67099777

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CO)NC(=O)C1=C(O)c2cc(Cl)ccc2C2(CCOCC2)C1=O

HCID178500954

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3462c291e87741ae891442f141d63ae2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:24]([N:25]([CH:26]([CH3:27])[CH3:28])[CH:29]([CH3:30])[CH3:31])[CH3:32].[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[CH3:34][O:35][C:36]([CH:37]([NH2:38])[CH2:39][OH:40])=[O:41].[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8]1([C:7](=[O:17])[C:6]([C:18](=[O:19])[O:20][CH2:21][CH3:22])=[C:5]2[OH:23])[CH2:12][CH2:13][O:14][CH2:15][CH2:16]1.[ClH:33]>>[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8]1([C:7](=[O:17])[C:6]([C:18](=[O:19])[NH:38][CH:37]([C:36]([O:35][CH3:34])=[O:41])[CH2:39][OH:40])=[C:5]2[OH:23])[CH2:12][CH2:13][O:14][CH2:15][CH2:16]1