HRID835342

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2759392

1-(2-Methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C13H23BN2O2

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(Br)cc3C(=O)NC)n2)cc1)OCC

HCID49821189

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(-c4cnn(CC(C)C)c4)cc3C(=O)NC)n2)cc1)OCC

HCID58293065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b955f14e28fa42a7893a563b3dbd4faa
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:35]([NH:36][CH3:37])=[O:38])[c:5]([NH:8][c:9]2[n:10][c:11]([NH:19][c:20]3[cH:21][cH:22][c:23]([CH2:24][P:25]([O:26][CH2:27][CH3:28])([O:29][CH2:30][CH3:31])=[O:32])[cH:33][cH:34]3)[n:12][cH:13][c:14]2[C:15]([F:16])([F:17])[F:18])[cH:6][cH:7]1.[CH2:39]([CH:40]([CH3:41])[CH3:42])[n:43]1[n:44][cH:45][c:46]([B:48]2[O:49][C:50]([CH3:51])([CH3:52])[C:53]([CH3:54])([CH3:55])[O:56]2)[cH:47]1>>[c:2]1(-[c:46]2[cH:45][n:44][n:43]([CH2:39][CH:40]([CH3:41])[CH3:42])[cH:47]2)[cH:3][c:4]([C:35]([NH:36][CH3:37])=[O:38])[c:5]([NH:8][c:9]2[n:10][c:11]([NH:19][c:20]3[cH:21][cH:22][c:23]([CH2:24][P:25]([O:26][CH2:27][CH3:28])([O:29][CH2:30][CH3:31])=[O:32])[cH:33][cH:34]3)[n:12][cH:13][c:14]2[C:15]([F:16])([F:17])[F:18])[cH:6][cH:7]1