HRID112937

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID66056

Piperazine, 2,6-dimethyl-

C6H14N2

结构：Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc(Cl)n(CC3CC3)c2n1

HCID59333498

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc(N3CC(C)NC(C)C3)n(CC3CC3)c2n1

HCID66658565

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80c0761d0c5c4a61befa0cc876f009bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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