HRID2154849

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID97743

N-Carbobenzoyl-DL-valine

C13H17NO4

HCID519419

ethyl (2S)-2-amino-3-methylbutanoate

C7H15NO2

HCID11745953

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(C)C

HCID178472814

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4642b3b55f4c458e8df9359a8f9ed853
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH:13]([CH3:14])[CH3:15])[C:16](=[O:17])[OH:18].[CH2:20]([CH3:21])[O:22][C:23]([CH:24]([NH2:25])[CH:26]([CH3:27])[CH3:28])=[O:29].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][S:38]([O:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1)(=[O:49])=[O:50].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cl:51][CH2:52][Cl:53].[ClH:19].[OH2:60]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH:13]([CH3:14])[CH3:15])[C:16](=[O:18])[NH:25][CH:24]([C:23]([O:22][CH2:20][CH3:21])=[O:29])[CH:26]([CH3:27])[CH3:28]