HRID302426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID23120510

5-(4-Fluorophenyl)pyridine-2-carboxylic acid

C12H8FNO2

HCID23120516

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)cn3)cn12

HCID23120572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76addcb1f74b4059985d63f228973a6b
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

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