HRID296852

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6318

4-Chlorobenzoic acid

C7H5ClO2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID178508178

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1)c1ccc(Cl)cc1

HCID58026656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36e15e530ab54b8c91eb9d180a255a53
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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