HRID143820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID302873

(2-Bromo-4-fluoro-phenoxy)-acetic acid

C8H6BrFO3

HCID2733180

未命名化合物

HCID58689912

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(NC(=O)C1CCCCC1)C(=O)COc1ccc(F)cc1Br

HCID58689911

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d8f4bea732044459c6e633b32844934
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

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