HRID165946

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6115

Aniline

C6H7N

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

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-bacfac588a6f47f4b3ed904bc7c80835
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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].[CH3:26][CH2:27][N:28]=[C:29]=[N:30][CH2:31][CH2:32][CH2:33][N:34]([CH3:35])[CH3:36].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:53][CH2:54][Cl:55].[NH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([C:23](=[O:24])[NH:37][c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]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]