HRID1539370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID409683

(RS)-Valine methyl ester

C6H13NO2

结构：CC(C)(C)OC(=O)NC(COc1ccc(Br)cc1)C(=O)O

HCID66660912

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(NC(=O)C(COc1ccc(Br)cc1)NC(=O)OC(C)(C)C)C(C)C

HCID66660903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-811d49b307b442ee9036d7cf5ee37fa3
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

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