HRID155662

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

HCID67504199

未命名化合物

PRODUCTS

生成物

结构：CCC(C(=O)Nc1ccn(CC2COC(C)(C)O2)n1)N1CC(Oc2c(F)cccc2F)=CC1=O

HCID66899015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ad7c41f896240c29d784ceb6c4297d9
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

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