HRID197667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID81531

Diisopropylethylamine

C8H19N

HCID117782

1-Piperidinepropanoic acid

C8H15NO2

HCID59451589

未命名化合物

PRODUCTS

产物

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID59451419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d017bad317a646bc88793a7d5d5152b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH:51]([N:52]([CH:53]([CH3:54])[CH3:55])[CH2:56][CH3:57])([CH3:58])[CH3:59].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[N:40]1([CH2:46][CH2:47][C:48](=[O:49])[OH:50])[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1.[NH2:8][c:9]1[cH:10][c:11]2[cH:12][c:13]([C:18](=[O:19])[NH:20][CH2:21][c:22]3[c:23]([F:39])[c:24]([O:29][c:30]4[cH:31][c:32]([Cl:38])[cH:33][c:34]([C:36]#[N:37])[cH:35]4)[c:25]([Cl:28])[cH:26][cH:27]3)[nH:14][c:15]2[cH:16][cH:17]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64]>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH:8]([c:9]1[cH:10][c:11]2[cH:12][c:13]([C:18](=[O:19])[NH:20][CH2:21][c:22]3[c:23]([F:39])[c:24]([O:29][c:30]4[cH:31][c:32]([Cl:38])[cH:33][c:34]([C:36]#[N:37])[cH:35]4)[c:25]([Cl:28])[cH:26][cH:27]3)[nH:14][c:15]2[cH:16][cH:17]1)[C:48]([CH2:47][CH2:46][N:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1)=[O:49]