HRID197046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2777551

6-(Trifluoromethyl)nicotinic acid

C7H4F3NO2

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：CC(C)N(Cc1cccc(-c2ccnc(NCCc3ccc(O)c(Cl)c3)n2)c1)C(=O)c1ccc(C(F)(F)F)nc1

HCID58603528

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9c917d8e02c43cd9dc0b725b5a213ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[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.[F:29][C:30]([c:31]1[n:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]1)([F:40])[F:41]>>[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][c:31]([C:30]([F:29])([F:40])[F:41])[cH:39][cH:38]4)=[O:36])[cH:20][cH:21][cH:22]3)[n:16]2)[cH:7]1