HRID186134

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID11011301

tert-Butyl 4-(4-aminophenyl)piperazine-1-carboxylate

C15H23N3O2

HCID59365138

未命名化合物

PRODUCTS

生成物

结构：CCn1c(C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc2c(Cl)c(Cl)ccc21

HCID59365131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2ed292e677545caa1af904738ec5d04
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:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[N:30]1[CH2:31][CH2:32][N:33]([c:36]2[cH:37][cH:38][c:39]([NH2:42])[cH:40][cH:41]2)[CH2:34][CH2:35]1.[CH2:50]([Cl:51])[Cl:52].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cl:17][C:18]([C:19]([Cl:20])=[O:21])=[O:22].[Cl:1][c:2]1[c:3]2[cH:4][c:5]([C:14](=[O:15])[OH:16])[n:6]([CH2:12][CH3:13])[c:7]2[cH:8][cH:9][c:10]1[Cl:11].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[Cl:1][c:2]1[c:3]2[cH:4][c:5]([C:14](=[O:16])[NH:42][c:39]3[cH:38][cH:37][c:36]([N:33]4[CH2:32][CH2:31][N:30]([C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:29])[CH2:35][CH2:34]4)[cH:41][cH:40]3)[n:6]([CH2:12][CH3:13])[c:7]2[cH:8][cH:9][c:10]1[Cl:11]