HRID2147434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID6228

Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID14023002

2-Amino-4-methoxybenzamide

C8H10N2O2

HCID22499307

4-(Propan-2-yl)-1,3-thiazole-2-carboxylic acid

C7H9NO2S

PRODUCTS

产物

反应SMILES：COc1ccc(C(N)=O)c(NC(=O)c2nc(C(C)C)cs2)c1

HCID59165472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-36b8241d10b341d09c8b231b111c27a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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