HRID95194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6115

Aniline

C6H7N

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

结构：CCOP(=O)(OCC)C(F)(F)c1cc2nc(C(=O)O)ccc2cc1Br

HCID86638322

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(OCC)C(F)(F)c1cc2nc(C(=O)Nc3ccccc3)ccc2cc1Br

HCID86638324

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1a42e16793d4f0fb6dc8e6e909cf863
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

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