HRID313908

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID4447507

1-(Bromomethyl)-3,5-di-tert-butylbenzene

C15H23Br

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)CC1

HCID22033113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8599b3e28e784681965c6d94c83332fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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