HRID2136995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID875

2,3-Dihydroxybutanedioic acid

C4H6O6

HCID8857

Ethyl acetate

C4H8O2

HCID68882567

未命名化合物

HCID68883087

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1cc(C2CCCN(C(=O)OCc3ccc(C(F)(F)F)cc3)C2)ccc1C

HCID68886850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1ee506965954a9e8274afea7cea20aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([OH:2])(=[O:3])[CH:4]([CH:5]([C:6]([OH:7])=[O:8])[OH:9])[OH:10].[CH2:11]([CH3:12])[O:13][C:14]([C:15]([CH3:16])([O:17][c:18]1[c:19]([CH3:30])[cH:20][cH:21][c:22]([CH:24]2[CH2:25][NH:26][CH2:27][CH2:28][CH2:29]2)[cH:23]1)[CH3:31])=[O:32].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[F:33][C:34]([c:35]1[cH:36][cH:37][c:38]([CH2:39][O:40][C:41](=[O:42])[n:43]2[cH:44][cH:45][n:46][cH:47]2)[cH:48][cH:49]1)([F:50])[F:51]>>[CH2:11]([CH3:12])[O:13][C:14]([C:15]([CH3:16])([O:17][c:18]1[c:19]([CH3:30])[cH:20][cH:21][c:22]([CH:24]2[CH2:25][N:26]([C:41]([O:40][CH2:39][c:38]3[cH:37][cH:36][c:35]([C:34]([F:33])([F:50])[F:51])[cH:49][cH:48]3)=[O:42])[CH2:27][CH2:28][CH2:29]2)[cH:23]1)[CH3:31])=[O:32]