HRID694568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID67338

1,2-Ethanediamine, N,N,N'-trimethyl-

C5H14N2

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：O=C(Nc1ccc(C(=O)O)cc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1

HCID44516307

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1

HCID44516311

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13211693f12b49d093e1312dea9f09a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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