HRID306422

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID136313

1-Bromo-3,5-difluorobenzene

C6H3BrF2

结构：C#CC=C1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1

HCID86627349

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc([N+](=O)[O-])c(N2CCC(=CC#Cc3cc(F)cc(F)c3)CC2)n1

HCID25181915

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-190d9436849947bd898203c57685b288
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:28][c:29]1[cH:30][c:31]([F:36])[cH:32][c:33]([F:35])[cH:34]1.[C:23]([O-:24])(=[O:25])[CH3:26].[CH3:1][c:2]1[cH:3][cH:4][c:5]([N+:17](=[O:18])[O-:19])[c:6]([N:8]2[CH2:9][CH2:10][C:11](=[CH:14][C:15]#[CH:16])[CH2:12][CH2:13]2)[n:7]1.[Na+:27].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:20].[OH2:21].[OH2:22].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([N+:17](=[O:18])[O-:19])[c:6]([N:8]2[CH2:9][CH2:10][C:11](=[CH:14][C:15]#[C:16][c:29]3[cH:30][c:31]([F:36])[cH:32][c:33]([F:35])[cH:34]3)[CH2:12][CH2:13]2)[n:7]1