HRID135590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID289393

4-bromo-1-hydroxy-2-naphthoic acid

C11H7BrO3

HCID4186341

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)NC(=O)c1cc(Br)c2ccccc2c1O

HCID66701030

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7b737531ea743f494a05b456cd9d60e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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