HRID821803

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7012

Benzeneacetic acid, .alpha.-ethyl-

C10H12O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID533839

2-Fluoro-5-(trifluoromethyl)benzylamine

C8H7F4N

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

PRODUCTS

生成物

结构：CCC(C(=O)NCc1cc(C(F)(F)F)ccc1F)c1ccccc1

HCID11681621

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-264dbfab3eea464f86b606d55aa259c5
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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