HRID200285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID712909

n,n-dimethylpiperazine-1-carboxamide

C7H15N3O

结构：CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc3[nH]c(C(=O)O)cc3c2)CC1

HCID68535629

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)N1CCN(C(=O)c2cc3cc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)ccc3[nH]2)CC1

HCID68535601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b13a1c441f9d4c16937771abf57ab0f2
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:15](=[O:16])[c:17]2[cH:18][c:19]3[cH:20][c:21]([C:26](=[O:27])[OH:28])[nH:22][c:23]3[cH:24][cH:25]2)[CH2:12][CH2:13][CH2:14]1.[CH3:29][N:30]([C:31](=[O:32])[N:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1)[CH3:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:15](=[O:16])[c:17]2[cH:18][c:19]3[cH:20][c:21]([C:26](=[O:28])[N:36]4[CH2:35][CH2:34][N:33]([C:31]([N:30]([CH3:29])[CH3:39])=[O:32])[CH2:38][CH2:37]4)[nH:22][c:23]3[cH:24][cH:25]2)[CH2:12][CH2:13][CH2:14]1