HRID192353

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID24903633

2-(Pyridin-2-yl)pyrimidine-5-carboxylic acid

C10H7N3O2

HCID68554957

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(NC(=O)c2cnc(-c3ccccn3)nc2)c2ccc(F)cc12

HCID25099475

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73d66f5f87204de7bff3bbb07e63193d
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

[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[CH:16]([N:17]([CH2:18][CH3:19])[CH:20]([CH3:21])[CH3:22])([CH3:23])[CH3:24].[F:25][c:26]1[cH:27][c:28]2[c:29]([CH3:36])[cH:30][n:31]([NH2:35])[c:32]2[cH:33][cH:34]1.[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:48].[n:1]1[c:2](-[c:7]2[n:8][cH:9][c:10]([C:13](=[O:14])[OH:15])[cH:11][n:12]2)[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2](-[c:7]2[n:8][cH:9][c:10]([C:13](=[O:15])[NH:35][n:31]3[cH:30][c:29]([CH3:36])[c:28]4[cH:27][c:26]([F:25])[cH:34][cH:33][c:32]43)[cH:11][n:12]2)[cH:3][cH:4][cH:5][cH:6]1