HRID2141954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID79587

4-Cyanophenylacetic acid

C9H7NO2

HCID10424766

未命名化合物

PRODUCTS

产物

HCID19996379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a77ff593920347d193456aeb90addbe4
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](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:9][C:10](=[O:11])[OH:12])[cH:7][cH:8]1.[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[O:27][C:28]([CH2:29][CH2:30][NH:31][C:32]([c:33]1[cH:34][c:35]([NH2:39])[cH:36][cH:37][cH:38]1)=[O:40])=[O:41].[F:13][C:14]([F:15])([F:16])[C:17]([OH:18])=[O:19]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:9][C:10](=[O:12])[NH:39][c:35]2[cH:34][c:33]([C:32]([NH:31][CH2:30][CH2:29][C:28]([O:27][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)=[O:41])=[O:40])[cH:38][cH:37][cH:36]2)[cH:7][cH:8]1