HRID321439

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID2779764

3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid

C12H11NO4

HCID137319820

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2noc(C)c2C(=O)N(C(=N)SC)C(=O)OC(C)(C)C)cc1

HCID86609632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e2c6a21a12642e48dd88e1b3c293dca
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

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