HRID820547

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

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID137254

1-Methyl-3-aminopyrazole

C4H7N3

结构：CC(C)(O)Cn1ccc(NC(=O)C(CC2CCCCC2)N2CC(Oc3c(F)ccc(Cl)c3F)=CC2=O)n1

HCID66899151

未命名化合物

PRODUCTS

生成物

结构：Cn1ccc(NC(=O)C(CC2CCCCC2)N2CC(Oc3c(F)ccc(Cl)c3F)=CC2=O)n1

HCID66899091

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb8ccdc38bf840a1891f52f1beb6269f
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

[CH3:38][n:39]1[cH:40][cH:41][c:42]([NH2:43])[n:44]1.[CH3:81][N:82]([CH3:83])[CH:84]=[O:85].[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[CH:72]([N:73]([CH2:74][CH3:75])[CH:76]([CH3:77])[CH3:78])([CH3:79])[CH3:80].[Cl:1][c:2]1[c:3]([F:37])[c:4]([O:5][C:6]2=[CH:7][C:8](=[O:32])[N:9]([CH:11]([C:12](=[O:13])[NH:14][c:15]3[n:16][n:17]([CH2:20][C:21]([OH:22])([CH3:23])[CH3:24])[cH:18][cH:19]3)[CH2:25][CH:26]3[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]3)[CH2:10]2)[c:33]([F:36])[cH:34][cH:35]1.[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][P+:54]([N:55]([CH3:56])[CH3:57])([N:58]([CH3:59])[CH3:60])[N:61]([CH3:62])[CH3:63])[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[Cl:1][c:2]1[c:3]([F:37])[c:4]([O:5][C:6]2=[CH:7][C:8](=[O:32])[N:9]([CH:11]([C:12](=[O:13])[NH:14][c:15]3[n:16][n:17]([CH3:20])[cH:18][cH:19]3)[CH2:25][CH:26]3[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]3)[CH2:10]2)[c:33]([F:36])[cH:34][cH:35]1