HRID690688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID22710387

tert-Butyl 3,3-dimethylpiperazine-1-carboxylate

C11H22N2O2

HCID22711144

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccncc3)cc2)C(C)(C)C1

HCID22710764

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cea4d3373f124995ae93c6b80d9fbacb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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