HRID203393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8471

Triethylamine

C6H15N

结构：Cn1cc(C(=O)O)c(=O)c2cc3cc(F)c(Cl)cc3nc21

HCID14700554

未命名化合物

HCID21495223

2-(4-Methylphenyl)piperazine

C11H16N2

PRODUCTS

生成物

结构：Cc1ccc(C2CN(c3cc4nc5c(cc4cc3F)c(=O)c(C(=O)O)cn5C)CCN2)cc1

HCID53693924

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b476c2f7d4914a81a1c57791033a941b
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

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