HRID1209114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID232388

1-Phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

C13H15NO4

HCID19011667

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(NC(=O)C(NC(=O)C2CCCN2C(=O)OCc2ccccc2)C(C)C)c1C(=O)O

HCID178425588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f38d0e042a444e791054723b924490b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[O:16][C:17](=[O:18])[N:19]1[CH:20]([C:21](=[O:22])[OH:23])[CH2:24][CH2:25][CH2:26]1.[CH3:27][N:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][c:39]([NH:44][C:45]([CH:46]([NH2:47])[CH:48]([CH3:49])[CH3:50])=[O:51])[c:40]1[C:41](=[O:42])[OH:43].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[Cl:1][C:2]([O:3][CH2:4][CH:5]([CH3:6])[CH3:7])=[O:8].[ClH:52].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1>>[CH2:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[O:16][C:17](=[O:18])[N:19]1[CH:20]([C:21](=[O:23])[NH:47][CH:46]([C:45]([NH:44][c:39]2[cH:38][cH:37][cH:36][c:35]([CH3:34])[c:40]2[C:41](=[O:42])[OH:43])=[O:51])[CH:48]([CH3:49])[CH3:50])[CH2:24][CH2:25][CH2:26]1