HRID289334

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)n1c(C(=O)O)cc2cc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)ccc21

HCID68538212

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1c(C(=O)N2CCN(C(=O)N(C)C)CC2)cc2cc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)ccc21

HCID68536621

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97e2e6c6a5a347dc802cfb259f856707
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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:29](=[O:30])[OH:31])[n:22]([CH:26]([CH3:27])[CH3:28])[c:23]3[cH:24][cH:25]2)[CH2:12][CH2:13][CH2:14]1.[CH3:32][N:33]([C:34](=[O:35])[N:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1)[CH3:42]>>[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:29](=[O:31])[N:39]4[CH2:38][CH2:37][N:36]([C:34]([N:33]([CH3:32])[CH3:42])=[O:35])[CH2:41][CH2:40]4)[n:22]([CH:26]([CH3:27])[CH3:28])[c:23]3[cH:24][cH:25]2)[CH2:12][CH2:13][CH2:14]1