HRID282986

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID15908

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

C8H17N3

HCID73026

3-Hydroxy-1,2,3-benzotriazin-4(3H)-one

C7H5N3O2

HCID351663

O-Methyl-DL-methionine

C6H13NO2S

结构：Cc1ccccc1-c1cc([N+](=O)[O-])ccc1C(=O)O

HCID23436074

2'-Methyl-5-nitro[1,1'-biphenyl]-2-carboxylic acid

C14H11NO4

PRODUCTS

生成物

结构：COC(=O)C(CCSC)NC(=O)c1ccc([N+](=O)[O-])cc1-c1ccccc1C

HCID23436191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11d7bee280374b9c9fb97a380e023290
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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