HRID196944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID94239

Methyl prolinate

C6H11NO2

HCID97743

N-Carbobenzoyl-DL-valine

C13H17NO4

PRODUCTS

生成物

结构：COC(=O)C1CCCN1C(=O)C(NC(=O)OCc1ccccc1)C(C)C

HCID178498091

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce176755ceb14024b7c93a5f52407d4d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1](=[O:2])([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:11][CH:12]([CH:13]([CH3:14])[CH3:15])[C:16](=[O:17])[OH:18].[CH3:31][O:32][C:33]([CH:34]1[NH:35][CH2:36][CH2:37][CH2:38]1)=[O:39].[CH3:60][CH2:61][O:62][CH2:63][CH3:64].[CH:40]1([N:41]=[C:42]=[N:43][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1.[ClH:30].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:29].[OH:19][n:20]1[c:21]2[c:22]([cH:23][cH:24][cH:25][cH:26]2)[n:27][n:28]1>>[C:1](=[O:2])([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:11][CH:12]([CH:13]([CH3:14])[CH3:15])[C:16](=[O:18])[N:35]1[CH:34]([C:33]([O:32][CH3:31])=[O:39])[CH2:38][CH2:37][CH2:36]1