HRID696344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID69591

2-Phenylimidazole

C9H8N2

HCID551074

N,N'-Dimethyl-1,2-cyclohexanediamine

C8H18N2

HCID53400871

未命名化合物

PRODUCTS

生成物

结构：CCC1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1C(C)C

HCID67260338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d88bdbb268a414286e693d9b876f140
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

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