HRID1205495

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID4661

4-Nitrophenylacetic acid

C8H7NO4

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID3680165

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2[nH]c3ccccc3c2CCNCCc2ccc([N+](=O)[O-])cc2)cc1OC

HCID18914264

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da0042ccf75444559e1fc111d9082d2f
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

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