HRID2315113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID61699985

未命名化合物

HCID68555508

未命名化合物

PRODUCTS

生成物

结构：CCc1cn(NC(=O)c2cnc(-c3ncccn3)nc2C)c2ccc(OC(F)(F)F)cc12

HCID59200000

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bac18353713649db8091102d00016392
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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