HRID696132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID978

4-Aminobenzoic acid

C7H7NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(N)cc2)CC1

HCID2763355

tert-butyl 4-(4-aminobenzoyl)piperazine-1-carboxylate

C16H23N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93ea6f15aa57488c89157785ff1867cb
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

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