HRID119439

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8857

Ethyl acetate

C4H8O2

结构：COc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(C(=O)OCc2ccccc2)c2ccccc2)cc1OC

HCID57591440

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(C(=O)O)c2ccccc2)cc1OC

HCID57591457

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-650eafc56d984f1891aca4b79c6ba213
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

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