HRID179944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID813

Potassium cation

K+

2 次

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7892

2-Methylpentane

C6H14

HCID19660

Carbonate

CO3-2

HCID75886

2-Chloro-N,N-dimethylacetamide

C4H8ClNO

结构：COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCCNC1

HCID10453762

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCCN(CC(=O)N(C)C)C1

HCID10005704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c7c60fa717745ea83203df55276b9af
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

[C:38](=[O:39])([O-:40])[O-:41].[CH3:44][CH2:45][CH2:46][CH:47]([CH3:48])[CH3:49].[CH3:55][CH2:56][O:57][CH2:58][CH3:59].[Cl:10][c:11]1[c:12]([F:37])[c:13]([NH:14][c:15]2[n:16][cH:17][n:18][c:19]3[cH:20][c:21]([O:32][CH3:33])[c:22]([O:25][CH:26]4[CH2:27][NH:28][CH2:29][CH2:30][CH2:31]4)[cH:23][c:24]23)[cH:34][cH:35][cH:36]1.[Cl:1][CH2:2][C:3](=[O:4])[N:5]([CH3:6])[CH3:7].[ClH:8].[ClH:9].[K+:42].[K+:43].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[CH2:2]([C:3](=[O:4])[N:5]([CH3:6])[CH3:7])[N:28]1[CH2:27][CH:26]([O:25][c:22]2[c:21]([O:32][CH3:33])[cH:20][c:19]3[n:18][cH:17][n:16][c:15]([NH:14][c:13]4[c:12]([F:37])[c:11]([Cl:10])[cH:36][cH:35][cH:34]4)[c:24]3[cH:23]2)[CH2:31][CH2:30][CH2:29]1