HRID672499

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

HCID124656

Isoquinoline-3-carboxylic acid

C10H7NO2

HCID130500

未命名化合物

HCID66940818

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc(SCC)cc2nc(NC(=O)c3cc4ccccc4cn3)[nH]c12

HCID178469407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8ddb198e14d491e89b1423df01042d9
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

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