HRID2324844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22324245

1,4-Dibenzylpiperazine-2-carboxylic acid

C19H22N2O2

结构：Cc1ccc(C)c(N2CCN(C(=O)C3CN(Cc4ccccc4)CCN3Cc3ccccc3)CC2)c1

HCID68729979

未命名化合物

PRODUCTS

生成物

HCID70542

1-(2,5-Xylyl)piperazine

C12H18N2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5664f6f2812461dbe6fcf4c243d95ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([N:2]1[CH2:3][CH2:4][N:5]([CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[CH2:13][CH:14]1[C:15]([OH:16])=[O:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[CH2:24]([N:25]1[CH2:26][CH2:27][N:28]([CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:36][CH:37]1[C:38](=[O:39])[N:46]1[CH2:47][CH2:48][N:49]([c:52]2[c:53]([CH3:59])[cH:54][cH:55][c:56]([CH3:58])[cH:57]2)[CH2:50][CH2:51]1)[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[NH:46]1[CH2:47][CH2:48][N:49]([c:52]2[c:53]([CH3:59])[cH:54][cH:55][c:56]([CH3:58])[cH:57]2)[CH2:50][CH2:51]1