HRID664121

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

HCID66940532

未命名化合物

HCID178508178

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2cc(C(=O)Nc3nc4c(C(=O)Nc5ncc[nH]5)cccc4[nH]3)ncc12

HCID58026528

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03e8ae75ed764a9c947774b4962a9678
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

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