HRID671368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID2153

Theophylline

C7H8N4O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID18919118

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)c2c(ncn2Cc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)cc2)n(C)c1=O

HCID18919090

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1dbe6f4cf294184a6cf4e55a2ce1a37
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

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