HRID195099

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID92779

2-Hydroxy-4-methylpentanoic acid

C6H12O3

HCID643495

1-Cbz-Piperazine

C12H16N2O2

PRODUCTS

生成物

结构：CC(C)CC(O)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1

HCID67098560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6cc805f39dd4613afa15769864d2c83
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

[CH2:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[O:46][C:47](=[O:48])[N:49]1[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]1.[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:27][CH2:28][N:29]=[C:30]=[N:31][CH2:32][CH2:33][CH2:34][N:35]([CH3:36])[CH3:37].[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[ClH:38].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH:17][n:18]1[c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[n:25][n:26]1.[OH:1][CH:2]([C:3](=[O:4])[OH:5])[CH2:6][CH:7]([CH3:8])[CH3:9]>>[OH:1][CH:2]([C:3](=[O:5])[N:52]1[CH2:51][CH2:50][N:49]([C:47]([O:46][CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)=[O:48])[CH2:54][CH2:53]1)[CH2:6][CH:7]([CH3:8])[CH3:9]