HRID156795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID333436

未命名化合物

HCID13530069

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1)N(C)C(=O)OC(C)(C)C

HCID23388433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23a58fd1861842bcbabbf4d976dfa13c
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]([CH:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[C:14](=[O:15])[OH:16])[CH3:17].[CH3:76][CH2:77][O:78][CH2:79][CH3:80].[CH:18]([N:19]([CH2:20][CH3:21])[CH:22]([CH3:23])[CH3:24])([CH3:25])[CH3:26].[ClH:51].[F:52][c:53]1[cH:54][cH:55][c:56]([CH:59]([CH2:60][CH2:61][CH2:62][NH2:63])[c:64]2[cH:65][cH:66][c:67]([F:70])[cH:68][cH:69]2)[cH:57][cH:58]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[C:14](=[O:16])[NH:63][CH2:62][CH2:61][CH2:60][CH:59]([c:56]1[cH:55][cH:54][c:53]([F:52])[cH:58][cH:57]1)[c:64]1[cH:65][cH:66][c:67]([F:70])[cH:68][cH:69]1)[CH3:17]