HRID116216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID19358568

Benzyl 4-(chlorocarbonyl)piperazine-1-carboxylate

C13H15ClN2O3

HCID67134877

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCN(Cc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1

HCID53416583

Benzyl 4-({2-[(tert-butoxycarbonyl)amino]ethyl}[(4-chlorophenyl)methyl]carbamoyl)piperazine-1-carboxylate

C27H35ClN4O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1111bb5157e94e8e80bba4b355445bc3
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

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