HRID162854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23938

Palladium

2 次

HCID81531

Diisopropylethylamine

C8H19N

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

结构：O=[N+]([O-])c1ccc(OS(=O)(=O)C(F)(F)F)cc1F

HCID21998735

未命名化合物

HCID178480034

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2ccc3nnc(Sc4ccc([N+](=O)[O-])c(F)c4)n3n2)cn1

HCID57911032

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea782e34324d4688ad75f8fd14c7f85e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:28][n:29]1[n:30][cH:31][c:32](-[c:34]2[cH:35][cH:36][c:37]3[n:38]([n:39]2)[c:40]([SH:43])[n:41][n:42]3)[cH:33]1.[CH:19]([N:20]([CH:21]([CH3:22])[CH3:23])[CH2:24][CH3:25])([CH3:26])[CH3:27].[F:1][c:2]1[cH:3][c:4]([O:11][S:12]([C:13]([F:14])([F:15])[F:16])(=[O:17])=[O:18])[cH:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[O:51]=[C:52]([CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Pd:49].[Pd:50]>>[F:1][c:2]1[cH:3][c:4]([S:43][c:40]2[n:38]3[c:37]([cH:36][cH:35][c:34](-[c:32]4[cH:31][n:30][n:29]([CH3:28])[cH:33]4)[n:39]3)[n:42][n:41]2)[cH:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10]