HRID2325056

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID53167

1-Methylpiperazine

C5H12N2

HCID81531

Diisopropylethylamine

C8H19N

HCID99570

4-Bromo-2-methylbenzoic acid

C8H7BrO2

HCID130500

未命名化合物

PRODUCTS

生成物

HCID59392754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb23ef366fdc4861998bd7e02943ed70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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