HRID684416

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID20150036

未命名化合物

HCID66876162

未命名化合物

PRODUCTS

产物

HCID24771824

PF-04457845

C23H20F3N5O2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-04dedd0d79d44b7685536c2a912b19bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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