HRID692332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID938

Nicotinic acid

C6H5NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID178508171

未命名化合物

PRODUCTS

生成物

HCID178522485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-243773560a884523a9a47bcf925ff854
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

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