HRID1562712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID550206

1-(2-Furoyl)piperazine

C9H12N2O2

结构：Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CCC(=O)O

HCID136128354

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CCC(=O)N1CCN(C(=O)c2ccco2)CC1

HCID136128386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b668e4ed184547ba9228893b9004a659
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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