HRID90812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4837

Piperazine

C4H10N2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

结构：CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1

HCID10959558

未命名化合物

PRODUCTS

生成物

结构：CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)N3CCNCC3)cc2)CC1

HCID54032127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-232fef8f956b4bcd94844a2be9504e9f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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