HRID1227247

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

HCID8471

Triethylamine

C6H15N

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：O=C(O)c1ccc([N+](=O)[O-])cc1-c1ccccc1

HCID10657841

4-NITRO-2-PHENYLBENZOIC ACID

C13H9NO4

PRODUCTS

生成物

结构：COC(=O)C(CCSC)NC(=O)c1ccc([N+](=O)[O-])cc1-c1ccccc1

HCID22986157

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99b9c22b6e77418dbcc65318344e92a0
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

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