HRID115868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCN(CC)CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1

HCID58204670

N,N-Diethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethan-1-amine

C15H28BN3O2

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(Br)c4c3C(=O)N(C)C4)n2)cc1)OCC

HCID58292897

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(-c4cnn(CCN(CC)CC)c4)c4c3C(=O)N(C)C4)n2)cc1)OCC

HCID58292908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01a787e0ff43419ba570f63eb739f880
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

[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][cH:12][c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:36]([F:37])([F:38])[F:39])[c:21]([NH:23][c:24]3[c:25]4[c:29]([c:30]([Br:33])[cH:31][cH:32]3)[CH2:28][N:27]([CH3:34])[C:26]4=[O:35])[n:22]2)[cH:14][cH:15]1.[CH2:40]([CH3:41])[N:42]([CH2:43][CH2:44][n:45]1[n:46][cH:47][c:48]([B:50]2[O:51][C:52]([CH3:53])([CH3:54])[C:55]([CH3:56])([CH3:57])[O:58]2)[cH:49]1)[CH2:59][CH3:60]>>[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][cH:12][c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:36]([F:37])([F:38])[F:39])[c:21]([NH:23][c:24]3[c:25]4[c:29]([c:30](-[c:48]5[cH:47][n:46][n:45]([CH2:44][CH2:43][N:42]([CH2:40][CH3:41])[CH2:59][CH3:60])[cH:49]5)[cH:31][cH:32]3)[CH2:28][N:27]([CH3:34])[C:26]4=[O:35])[n:22]2)[cH:14][cH:15]1