HRID1552371

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID800521

1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C12H9F2NO3

结构：O=S(=O)(c1ccccc1)n1cc(C2CNCCN2)c2ccccc21

HCID19763551

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)C3)cc21

HCID19763607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f5a3abac8554b8eb896f01d8302a00a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:25]([CH3:26])[n:27]1[cH:28][c:29]([C:40](=[O:41])[OH:42])[c:30](=[O:39])[c:31]2[cH:32][c:33]([F:38])[c:34]([F:37])[cH:35][c:36]12.[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([CH:19]3[NH:20][CH2:21][CH2:22][NH:23][CH2:24]3)[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([CH:19]3[NH:20][CH2:21][CH2:22][N:23]([c:34]4[c:33]([F:38])[cH:32][c:31]5[c:30](=[O:39])[c:29]([C:40](=[O:41])[OH:42])[cH:28][n:27]([CH2:25][CH3:26])[c:36]5[cH:35]4)[CH2:24]3)[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1