HRID1234994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID351663

O-Methyl-DL-methionine

C6H13NO2S

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

HCID10657841

4-NITRO-2-PHENYLBENZOIC ACID

C13H9NO4

结构：COC(=O)C(CCSC)N(C(=O)OC(C)(C)C)C(=O)c1ccc(N)cc1

HCID178500642

未命名化合物

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-9d60241613b646738a0de8d5a6eb2e6f
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

[CH3:20][O:21][C:22]([CH:23]([NH2:24])[CH2:25][CH2:26][S:27][CH3:28])=[O:29].[CH3:30][CH2:31][N:32]=[C:33]=[N:34][CH2:35][CH2:36][CH2:37][N:38]([CH3:39])[CH3:40].[CH3:51][O:52][C:53](=[O:54])[CH:55]([CH2:56][CH2:57][S:58][CH3:59])[N:60]([C:61](=[O:62])[c:63]1[cH:64][cH:65][c:66]([NH2:67])[cH:68][cH:69]1)[C:70]([O:71][C:72]([CH3:73])([CH3:74])[CH3:75])=[O:76].[CH3:80][CH2:81][N:82]([CH2:83][CH3:84])[CH2:85][CH3:86].[Cl:77][CH2:78][Cl:79].[ClH:19].[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.[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]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:24][CH:23]([C:22]([O:21][CH3:20])=[O:29])[CH2:25][CH2:26][S:27][CH3:28])[cH:11][cH:12]1