HRID1213148

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1256108

2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine

C13H21N3O

结构：O=Cc1cc(-c2ccc(C3CCCCC3)cc2)n(-c2ccccc2)n1

HCID86261131

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CCN(CCNCc3cc(-c4ccc(C5CCCCC5)cc4)n(-c4ccccc4)n3)CC2)cc1

HCID16038707

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20d5915497f04503a459b6b0e3f96cc7
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

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