HRID2346166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID349115

5-Bromothiophene-2-carboxylic acid

C5H3BrO2S

HCID53404429

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Nc2ncc(C(C)NC(=O)c3ccc(Br)s3)nn2)cc(OC)c1OC

HCID58711971

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-312391910a104ac59881507af7aa0c76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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