HRID104007

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)CC1

HCID52937267

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1CCC(Nc2ncc(NC(=O)c3nc(-c4ccccc4OC(F)(F)F)oc3C(F)(F)F)cn2)C1

HCID87130807

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-424c0c88a42f4870a36f56e4cc9b8403
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

[C:1]([O:2][C:3]([N:4]1[CH2:5][CH2:6][N:7]([c:8]2[cH:9][cH:10][c:11]([NH:12][C:13]([c:14]3[n:15][c:16](-[c:17]4[cH:18][cH:19][cH:20][cH:21][cH:22]4)[o:23][c:24]3[C:25]([F:26])([F:27])[F:28])=[O:29])[cH:30][n:31]2)[CH2:32][CH2:33]1)=[O:34])([CH3:35])([CH3:36])[CH3:37].[C:38]([CH3:39])([CH3:40])([CH3:41])[O:42][C:43](=[O:44])[N:45]1[CH2:46][CH:47]([NH:50][c:51]2[n:52][cH:53][c:54]([NH:57][C:58](=[O:59])[c:60]3[n:61][c:62](-[c:69]4[c:70]([O:75][C:76]([F:77])([F:78])[F:79])[cH:71][cH:72][cH:73][cH:74]4)[o:63][c:64]3[C:65]([F:66])([F:67])[F:68])[cH:55][n:56]2)[CH2:48][CH2:49]1.[CH2:103]([O:104][C:105]([N:106]1[CH2:107][CH2:108][CH:109]([NH:110][c:111]2[n:112][cH:113][c:114]([NH2:115])[cH:116][n:117]2)[CH2:118]1)=[O:119])[CH3:120].[F:80][C:81]([F:82])([F:83])[O:84][c:85]1[cH:86][cH:87][cH:88][cH:89][c:90]1-[c:91]1[o:92][c:93]([C:94]([F:95])([F:96])[F:97])[c:98]([C:99]([OH:100])=[O:101])[n:102]1>>[CH2:38]([CH3:39])[O:42][C:43](=[O:44])[N:45]1[CH2:46][CH:47]([NH:50][c:51]2[n:52][cH:53][c:54]([NH:57][C:58](=[O:59])[c:60]3[n:61][c:62](-[c:69]4[c:70]([O:75][C:76]([F:77])([F:78])[F:79])[cH:71][cH:72][cH:73][cH:74]4)[o:63][c:64]3[C:65]([F:66])([F:67])[F:68])[cH:55][n:56]2)[CH2:48][CH2:49]1