HRID701994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID256208

5-Methylnicotinic acid

C7H7NO2

结构：CC(C)NCc1cccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)c1

HCID58603441

未命名化合物

PRODUCTS

生成物

结构：Cc1cncc(C(=O)N(Cc2cccc(-c3ccnc(NCCc4ccc(O)c(Cl)c4)n3)c2)C(C)C)c1

HCID58603586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36d5a66aeca246c78814dfb231942b03
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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