HRID191175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7807

4-Bromoaniline

C6H6BrN

HCID8471

Triethylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

HCID204484

Propylphosphonic acid

C3H9O3P

结构：CC(C)(c1ccc2c(n1)CCC(C(=O)O)C2)C(F)(F)F

HCID58118624

未命名化合物

PRODUCTS

生成物

结构：CC(C)(c1ccc2c(n1)CCC(C(=O)Nc1ccc(Br)cc1)C2)C(F)(F)F

HCID66839738

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be28da465f684a24ae1ba762e33d6a91
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

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