HRID89155

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

HCID61702025

未命名化合物

HCID68554957

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccccn2)ncc1C(=O)Nn1cc(C)c2cc(F)ccc21

HCID25099474

SAR102608

C20H16FN5O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35e3935968b14c6e9039a92b7e02d6ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][c:2]1[n:3][c:4](-[c:11]2[n:12][cH:13][cH:14][cH:15][cH:16]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[OH:10].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[CH:17]([N:18]([CH2:19][CH3:20])[CH:21]([CH3:22])[CH3:23])([CH3:24])[CH3:25].[F:26][c:27]1[cH:28][c:29]2[c:30]([CH3:37])[cH:31][n:32]([NH2:36])[c:33]2[cH:34][cH:35]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:49]>>[CH3:1][c:2]1[n:3][c:4](-[c:11]2[n:12][cH:13][cH:14][cH:15][cH:16]2)[n:5][cH:6][c:7]1[C:8](=[O:10])[NH:36][n:32]1[cH:31][c:30]([CH3:37])[c:29]2[cH:28][c:27]([F:26])[cH:35][cH:34][c:33]21