HRID2321964

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

HCID7019940

tert-Butyl 2-methylalaninate

C8H17NO2

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：CC(C)(C)OC(=O)C(C)(C)NC(=O)C1=C(O)c2cc(Cl)ccc2C2(CCOCC2)C1=O

HCID67099827

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03e0ad0b855248fca01e612472695546
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:24]([N:25]([CH:26]([CH3:27])[CH3:28])[CH:29]([CH3:30])[CH3:31])[CH3:32].[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[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].[NH2:34][C:35]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])([CH3:43])[CH3:44]>>[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:34][C:35]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])([CH3:43])[CH3:44])=[C:5]2[OH:23])[CH2:12][CH2:13][O:14][CH2:15][CH2:16]1