HRID95895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID101412

5-Fluoroanthranilic acid

C7H6FNO2

HCID10800516

4-(2-methylsulfonylphenyl)aniline

C13H13NO2S

结构：COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)O)c(CN=[N+]=[N-])c1

HCID11427809

未命名化合物

PRODUCTS

生成物

结构：[N-]=[N+]=NCc1cc(F)ccc1-n1nc(C(F)(F)F)cc1C(=O)O

HCID18549781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f81e7a6e99a1460992263b9546052041
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:36][S:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1-[c:44]1[cH:45][cH:46][c:47]([NH2:48])[cH:49][cH:50]1)(=[O:51])=[O:52].[F:12][C:13]([c:14]1[n:15][n:16](-[c:22]2[c:23]([CH2:30][N:31]=[N+:32]=[N-:33])[cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]2)[c:17]([C:19](=[O:20])[OH:21])[cH:18]1)([F:34])[F:35].[F:1][c:2]1[cH:3][c:4]([C:9]([OH:10])=[O:11])[c:5]([NH2:6])[cH:7][cH:8]1>>[F:1][c:25]1[cH:24][c:23]([CH2:30][N:31]=[N+:32]=[N-:33])[c:22](-[n:16]2[n:15][c:14]([C:13]([F:12])([F:34])[F:35])[cH:18][c:17]2[C:19](=[O:20])[OH:21])[cH:27][cH:26]1