HRID700045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8431

1-Piperazinecarboxylic acid, ethyl ester

C7H14N2O2

结构：CC(C)(C)OC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)O

HCID291633

2-{[(Benzyloxy)carbonyl]amino}-5-tert-butoxy-5-oxopentanoic acid

C17H23NO6

PRODUCTS

生成物

结构：CCOC(=O)N1CCN(C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)CC1

HCID22017481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4f0d153e4cb4939a1292a38722d0ac6
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]([CH2:7][CH2:8][CH:9]([C:10](=[O:11])[OH:12])[NH:13][C:14](=[O:15])[O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)=[O:24].[C:41](=[O:42])([O-:43])[OH:44].[CH2:25]([CH3:26])[O:27][C:28](=[O:29])[N:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1.[Na+:45].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][CH:9]([C:10](=[O:12])[N:33]1[CH2:32][CH2:31][N:30]([C:28]([O:27][CH2:25][CH3:26])=[O:29])[CH2:35][CH2:34]1)[NH:13][C:14](=[O:15])[O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)=[O:24]