HRID1233621

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8016

N-Methyl-N-hydroxyethylamine

C3H9NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：Cn1cc(Br)nc(Nc2ccc(C(=O)O)c([N+](=O)[O-])c2)c1=O

HCID58729044

未命名化合物

PRODUCTS

生成物

结构：CN(CCO)C(=O)c1ccc(Nc2nc(Br)cn(C)c2=O)cc1[N+](=O)[O-]

HCID58729067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ab84aa42ef5481fb6fd13f83265c749
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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