HRID1148532

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53167

1-Methylpiperazine

C5H12N2

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

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(N4CCN(C(C)=O)CC4)c4c3C(=O)N(C)C4)n2)cc1)OCC

HCID58293044

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(N4CCN(C)CC4)c4c3C(=O)N(C)C4)n2)cc1)OCC

HCID58292886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-523b716d01fa488589cd7a80ca9906c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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:44]([F:45])([F:46])[F:47])[c:21]([NH:23][c:24]3[c:25]4[c:29]([c:30]([N:33]5[CH2:34][CH2:35][N:36]([C:39](=[O:40])[CH3:41])[CH2:37][CH2:38]5)[cH:31][cH:32]3)[CH2:28][N:27]([CH3:42])[C:26]4=[O:43])[n:22]2)[cH:14][cH:15]1.[CH2:48]([O:49][P:50]([CH2:51][c:52]1[cH:53][cH:54][c:55]([NH:56][c:57]2[n:58][c:59]([NH:60][c:61]3[cH:62][cH:63][c:64]([Br:65])[c:66]4[c:67]3[C:68](=[O:69])[N:70]([CH3:71])[CH2:72]4)[c:73]([C:74]([F:75])([F:76])[F:77])[cH:78][n:79]2)[cH:80][cH:81]1)(=[O:82])[O:83][CH2:84][CH3:85])[CH3:86].[CH3:87][N:88]1[CH2:89][CH2:90][NH:91][CH2:92][CH2:93]1>>[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:44]([F:45])([F:46])[F:47])[c:21]([NH:23][c:24]3[c:25]4[c:29]([c:30]([N:33]5[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]5)[cH:31][cH:32]3)[CH2:28][N:27]([CH3:42])[C:26]4=[O:43])[n:22]2)[cH:14][cH:15]1