HRID114990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID164578

4-Trifluoromethylsalicylic acid

C8H5F3O3

结构：CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NC(CC(C)C)C(=O)Oc1ccccc1C(=O)OCC

HCID67173358

未命名化合物

PRODUCTS

生成物

结构：CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NC(CC(C)C)C(=O)Oc1cc(C(F)(F)F)ccc1C(=O)OCC

HCID67173679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6aa61aa841e74ddeae471986981a4b4d
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

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