HRID1569609

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID88707

5-Bromonicotinic acid

C6H4BrNO2

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID178500449

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCCCS(=O)(=NC(=O)c1cncc(Br)c1)c1ccccc1

HCID76585219

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-107d1ba74ad44a2f9bdce83fa8c4fcfe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:27][c:28]1[cH:29][n:30][cH:31][c:32]([C:33](=[O:34])[OH:35])[cH:36]1.[CH:18]([N:19]([CH:20]([CH3:21])[CH3:22])[CH2:23][CH3:24])([CH3:25])[CH3:26].[Na+:68].[O-:64][C:65]([OH:66])=[O:67].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[c:1]1([S:7](=[O:8])(=[NH:9])[CH2:10][CH2:11][CH2:12][CH2:13][C:14](=[O:15])[O:16][CH3:17])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:44]1([O:45][P+:46]([N:47]([CH3:48])[CH3:49])([N:50]([CH3:51])[CH3:52])[N:53]([CH3:54])[CH3:55])[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[c:1]1([S:7](=[O:8])(=[N:9][C:33]([c:32]2[cH:31][n:30][cH:29][c:28]([Br:27])[cH:36]2)=[O:34])[CH2:10][CH2:11][CH2:12][CH2:13][C:14](=[O:15])[O:16][CH3:17])[cH:2][cH:3][cH:4][cH:5][cH:6]1