HRID142498

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID6422

Trifluoroacetic acid

C2HF3O2

2 次

HCID9974

Benzene, 1-(chloromethyl)-3-fluoro-

C7H6ClF

HCID19660

Carbonate Ion

CO3-2

HCID12109536

3-Piperazin-1-ylmethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-diamine

C10H15N9

PRODUCTS

产物

HCID12109542

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9350b6916f0949769de776ac8a4778f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[C:36](=[O:37])([O-:38])[O-:39].[F:20][C:21]([F:22])([F:23])[C:24]([OH:25])=[O:26].[F:27][c:28]1[cH:29][c:30]([CH2:31][Cl:32])[cH:33][cH:34][cH:35]1.[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48].[K+:40].[K+:41].[N:1]1([CH2:7][c:8]2[n:9][n:10][c:11]3[c:12]([n:13]2)[c:14]([NH2:19])[n:15][c:16]([NH2:18])[n:17]3)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[N:1]1([CH2:7][c:8]2[n:9][n:10][c:11]3[c:12]([n:13]2)[c:14]([NH2:19])[n:15][c:16]([NH2:18])[n:17]3)[CH2:2][CH2:3][N:4]([CH2:31][c:30]2[cH:29][c:28]([F:27])[cH:35][cH:34][cH:33]2)[CH2:5][CH2:6]1