HRID2316643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID83795

1-Acetylpiperazine

C6H12N2O

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(Br)c4c3C(=O)N(C)C4)n2)c(OC)c1)OCC

HCID58293036

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(N4CCN(C(C)=O)CC4)c4c3C(=O)N(C)C4)n2)c(OC)c1)OCC

HCID58293037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50527f89e5c649bba709438ad7ba26a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:42]([CH3:43])(=[O:44])[N:45]1[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]1.[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][c:12]([O:40][CH3:41])[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>>[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][c:12]([O:40][CH3:41])[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]([N:48]5[CH2:47][CH2:46][N:45]([C:42]([CH3:43])=[O:44])[CH2:50][CH2:49]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