HRID139441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID57934813

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(CC(=O)c2ccc(F)cc2OCc2ccccc2)CC1

HCID69059335

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b2454c35c3244e3ab25c760380bbc3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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