HRID1227762

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID887

Methanol

CH4O

结构：CCCCCc1ccc(CN(C(=O)C=Cc2ccc(C(F)(F)F)cc2)C(Cc2ccccc2)C(=O)OC)cc1

HCID67005476

未命名化合物

PRODUCTS

生成物

结构：CCCCCc1ccc(CN(C(=O)C=Cc2ccc(C(F)(F)F)cc2)C(Cc2ccccc2)C(=O)O)cc1

HCID67005273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-774a061a534a42d7bb2fc0d97e4c8092
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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