HRID169976

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID23002295

未命名化合物

HCID59384436

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc(C(=O)CNC(=O)C2(C)COC(C)(C)N2C(=O)OC(C)(C)C)cc1C(F)(F)F

HCID70862428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a5f5745eb9c431bb8e169c0f8c9af44
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9]([CH3:17])([CH3:18])[O:10][CH2:11][C:12]1([C:13](=[O:14])[OH:15])[CH3:16].[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[ClH:52].[NH2:53][CH2:54][C:55](=[O:56])[c:57]1[cH:58][c:59]([C:72]([F:73])([F:74])[F:75])[c:60]([O:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH3:71])[cH:61][cH:62]1.[P-:19]([F:20])([F:21])([F:22])([F:23])([F:24])[F:25].[n:26]1([O:27][C:28]([N:29]([CH3:30])[CH3:31])=[N+:32]([CH3:33])[CH3:34])[c:35]2[n:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9]([CH3:17])([CH3:18])[O:10][CH2:11][C:12]1([C:13](=[O:15])[NH:53][CH2:54][C:55](=[O:56])[c:57]1[cH:58][c:59]([C:72]([F:73])([F:74])[F:75])[c:60]([O:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH3:71])[cH:61][cH:62]1)[CH3:16]