HRID2345454

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-

HCID75260

4-(4-Fluorophenyl)piperazine

C10H13FN2

HCID81531

Diisopropylethylamine

C8H19N

HCID2733180

未命名化合物

HCID59326734

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1cc2ccc(F)cc2c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1C

HCID59326707

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1b58e24d285415aae652dc27583f9f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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