HRID1125135

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID643495

1-Cbz-Piperazine

C12H16N2O2

HCID735900

1-Boc-4-piperidone

C10H17NO3

HCID2724942

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(N2CCN(C(=O)OCc3ccccc3)CC2)CC1

HCID18971584

Benzyl 4-[1-(tert-butoxycarbonyl)piperidin-4-yl]piperazine-1-carboxylate

C22H33N3O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2cbbfee1b17e4541948cd74c1b649293
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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