HRID1207844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3673481

4-[4-(trifluoromethyl)phenoxy]benzoic Acid

C14H9F3O3

结构：CC(=O)OCCNC(=O)C(N)Cc1ccc(OC(F)(F)F)cc1

HCID57972096

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCCNC(=O)C(Cc1ccc(OC(F)(F)F)cc1)NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

HCID178476393

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f6d446bae1548d4ba299f6485aa24f8
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

[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH2:6][NH:7][C:8]([CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][C:18]([F:19])([F:20])[F:21])[cH:15][cH:16]1)[NH2:22])=[O:23].[F:24][C:25]([c:26]1[cH:27][cH:28][c:29]([O:30][c:31]2[cH:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]2)[cH:40][cH:41]1)([F:42])[F:43]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH2:6][NH:7][C:8]([CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][C:18]([F:19])([F:20])[F:21])[cH:15][cH:16]1)[NH:22][C:35]([c:34]1[cH:33][cH:32][c:31]([O:30][c:29]2[cH:28][cH:27][c:26]([C:25]([F:24])([F:42])[F:43])[cH:41][cH:40]2)[cH:39][cH:38]1)=[O:36])=[O:23]