HRID1573421

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

HCID2755929

3-{[(tert-Butoxycarbonyl)amino]methyl}benzoic acid

C13H17NO4

HCID14427612

Methyl 3-naphthalen-2-ylalaninate

C14H15NO2

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc2ccccc2c1)NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1

HCID22949374

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4fcd5013b91a4d9f9f55d5d8fa6560f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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