HRID92060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)C(Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1)OC(=O)Oc1ccc([N+](=O)[O-])cc1

HCID69512770

未命名化合物

结构：CCCCC(NC(=O)OC(C)(C)C)C(O)CNC(=O)N1CCOCC1

HCID178446760

未命名化合物

2 次

PRODUCTS

生成物

结构：CCCCC(NC(=O)OC(Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1)C(C)(C)C)C(O)CNC(=O)N1CCOCC1

HCID178446799

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-895a55e7f7444e7694c5b84d9790245b
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:61]([O:62][CH:63]([C:64]([CH3:65])([CH3:66])[CH3:67])[CH2:68][n:69]1[n:70][c:71](-[c:74]2[cH:75][cH:76][c:77]([C:80]([F:81])([F:82])[F:83])[cH:78][cH:79]2)[cH:72][cH:73]1)([O:84][c:85]1[cH:86][cH:87][c:88]([N+:89]([O-:90])=[O:91])[cH:92][cH:93]1)=[O:94].[CH3:101][N:102]([CH3:103])[CH:104]=[O:105].[CH3:106][CH2:107][O:108][C:109](=[O:110])[CH3:111].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[ClH:51].[O:95]1[CH2:96][CH2:97][O:98][CH2:99][CH2:100]1.[OH:1][CH:2]([CH2:3][NH:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][O:10][CH2:11][CH2:12]1)[CH:13]([CH2:14][CH2:15][CH2:16][CH3:17])[NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25].[OH:26][CH:27]([CH:28]([NH:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][NH:42][C:43]([N:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1)=[O:50]>>[OH:1][CH:2]([CH2:3][NH:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][O:10][CH2:11][CH2:12]1)[CH:13]([CH2:14][CH2:15][CH2:16][CH3:17])[NH:18][C:61]([O:62][CH:63]([C:64]([CH3:65])([CH3:66])[CH3:67])[CH2:68][n:69]1[n:70][c:71](-[c:74]2[cH:75][cH:76][c:77]([C:80]([F:81])([F:82])[F:83])[cH:78][cH:79]2)[cH:72][cH:73]1)=[O:94]