HRID97630

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

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-6ce645fd31ce49cabb1c040148f018a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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