HRID310880

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID351663

O-Methyl-DL-methionine

C6H13NO2S

结构：Cc1cc(C)cc(-c2cc([N+](=O)[O-])ccc2C(=O)O)c1

HCID23436225

3',5'-Dimethyl-5-nitro[1,1'-biphenyl]-2-carboxylic acid

C15H13NO4

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-c1cc(C)cc(C)c1

HCID178500627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11311890d09441f58e83b3a7ae4da6ac
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

[CH3:22][O:23][C:24]([CH:25]([NH2:26])[CH2:27][CH2:28][S:29][CH3:30])=[O:31].[CH3:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42].[CH3:53][O:54][C:55](=[O:56])[CH:57]([CH2:58][CH2:59][S:60][CH3:61])[N:62]([C:63](=[O:64])[c:65]1[cH:66][cH:67][c:68]([NH2:69])[cH:70][cH:71]1)[C:72]([O:73][C:74]([CH3:75])([CH3:76])[CH3:77])=[O:78].[CH3:79][CH2:80][N:81]([CH2:82][CH3:83])[CH2:84][CH3:85].[ClH:21].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:13]2[cH:14][c:15]([CH3:20])[cH:16][c:17]([CH3:19])[cH:18]2)[c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12]1.[OH:43][n:44]1[c:45]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[n:51][n:52]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:13]2[cH:14][c:15]([CH3:20])[cH:16][c:17]([CH3:19])[cH:18]2)[c:7]([C:8](=[O:10])[NH:26][CH:25]([C:24]([O:23][CH3:22])=[O:31])[CH2:27][CH2:28][S:29][CH3:30])[cH:11][cH:12]1