HRID826607

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734620

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C12H18BNO2

结构：CNC(=O)Nc1ccc(-c2nc(Cl)nc(N3CC4CCC(C3)O4)n2)cc1

HCID86636526

1-(4-(4-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-1,3,5-triazin-2-yl)phenyl)-3-methylurea

C17H19ClN6O2

PRODUCTS

生成物

结构：CNC(=O)Nc1ccc(-c2nc(-c3ccc(N)cc3)nc(N3CC4CCC(C3)O4)n2)cc1

HCID67437223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75d57900c6ea47bab6b0dfd007206129
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

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