HRID204818

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

HCID12365851

未命名化合物

结构：O=C(Nc1nc2cccc(C(=O)O)c2[nH]1)c1cc2ccccc2cn1

HCID178522491

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nc2c(C(=O)Nc3nc4c([nH]3)CCCC4)cccc2[nH]1)c1cc2ccccc2cn1

HCID58026664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf15951190934f02a25cd061294f4f37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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