HRID1202488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID137414

o-Toluidine, 5-isopropyl-

C10H15N

HCID58075463

2,4-Dichloro-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C13H10Cl2N2

PRODUCTS

生成物

结构：Cc1ccc(C(C)C)cc1Nc1nc(Cl)nc2c1CCC2c1ccccc1

HCID58075520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31dbffa09862494195ddc948f40c1c37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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