HRID183405

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CN(Cc3ncc[nH]3)Cc3ncc[nH]3)cc2)CC1

HCID66941477

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1)N1CCNCC1

HCID21084462

[4-[[Bis(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]-1-piperazinylmethanone

C20H25N7O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9e7b00933a44edba7918d99d4f5e148
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:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([C:14]([c:15]2[cH:16][cH:17][c:18]([CH2:21][N:22]([CH2:23][c:24]3[nH:25][cH:26][cH:27][n:28]3)[CH2:29][c:30]3[nH:31][cH:32][cH:33][n:34]3)[cH:19][cH:20]2)=[O:35])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:43][OH:44].[ClH:42].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1>>[NH:8]1[CH2:9][CH2:10][N:11]([C:14]([c:15]2[cH:16][cH:17][c:18]([CH2:21][N:22]([CH2:23][c:24]3[nH:25][cH:26][cH:27][n:28]3)[CH2:29][c:30]3[n:31][cH:32][cH:33][nH:34]3)[cH:19][cH:20]2)=[O:35])[CH2:12][CH2:13]1