HRID1147650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID436585

1-(phenyl)-1,3-heptanedione

C13H16O2

HCID18376304

未命名化合物

PRODUCTS

产物

HCID178444048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4e0fc3228ae54b6eb1283da5740d50a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[F:28][C:29]([F:30])([F:31])[C:32]([OH:33])=[O:34].[NH2:1][CH:2]([C:3](=[O:4])[OH:5])[CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][c:16]2[n:17][c:18](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[o:19][c:20]2[CH3:21])[cH:11][cH:12]1.[c:35]1([C:41]([CH2:42][C:43]([CH2:44][CH2:45][CH2:46][CH3:47])=[O:48])=[O:49])[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[NH:1]([CH:2]([C:3](=[O:4])[OH:5])[CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][c:16]2[n:17][c:18](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[o:19][c:20]2[CH3:21])[cH:11][cH:12]1)[C:43](=[CH:42][C:41]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)=[O:49])[CH2:44][CH2:45][CH2:46][CH3:47]