HRID2152889

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID7063844

3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one

C8H12N2O

反应SMILES：CCN(c1cc(Br)c(F)c(C(=O)O)c1C)C1CCOCC1

HCID86672664

未命名化合物

PRODUCTS

产物

反应SMILES：CCN(c1cc(Br)c(F)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1

HCID86672665

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-15ad0a1877984c43a617b92db58a4438
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[Br:1][c:2]1[c:3]([F:21])[c:4]([C:5](=[O:6])[OH:7])[c:8]([CH3:20])[c:9]([N:11]([CH:12]2[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[CH2:18][CH3:19])[cH:10]1.[CH2:55]([N:56]([CH:57]([CH3:58])[CH3:59])[CH:60]([CH3:61])[CH3:62])[CH3:63].[CH3:75][N:76]([CH3:77])[CH:78]=[O:79].[CH3:80][CH2:81][O:82][C:83]([CH3:84])=[O:85].[NH2:64][CH2:65][c:66]1[c:67](=[O:74])[nH:68][c:69]([CH3:73])[cH:70][c:71]1[CH3:72].[P-:22]([F:23])([F:24])([F:25])([F:26])([F:27])[F:28].[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>>[Br:1][c:2]1[c:3]([F:21])[c:4]([C:5](=[O:7])[NH:64][CH2:65][c:66]2[c:67](=[O:74])[nH:68][c:69]([CH3:73])[cH:70][c:71]2[CH3:72])[c:8]([CH3:20])[c:9]([N:11]([CH:12]2[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[CH2:18][CH3:19])[cH:10]1