HRID305709

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID22499307

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

C7H9NO2S

HCID59165435

2-Amino-4-methoxy-3-methylbenzamide

C9H12N2O2

PRODUCTS

生成物

结构：COc1ccc(C(N)=O)c(NC(=O)c2nc(C(C)C)cs2)c1C

HCID59165433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bd8e718fb9249358815cdf37b5da32d
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

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