HRID2151664

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-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+

HCID57919160

1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrazol-3-amine

C9H15N3O2

结构：O=C(O)C(CC1(F)CCCC1)N1CC(Oc2c(F)cccc2F)=CC1=O

HCID66895110

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OCC(Cn2ccc(NC(=O)C(CC3(F)CCCC3)N3CC(Oc4c(F)cccc4F)=CC3=O)n2)O1

HCID66899205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b83c6e4383045309253bf74a103a4f7
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

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