HRID158764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8071

未命名化合物

HCID2734379

Pyridine-4-boronic acid

C5H6BNO2

反应SMILES：O=[N+]([O-])c1ccc(Oc2ccnc3cc(Br)sc23)c(F)c1

HCID59424521

未命名化合物

反应SMILES：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

产物

反应SMILES：O=[N+]([O-])c1ccc(Oc2ccnc3cc(-c4ccncc4)sc23)c(F)c1

HCID58790194

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a69a50eb4e6342ecae565fcd1d20f99b
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

[Br:1][c:2]1[cH:3][c:4]2[n:5][cH:6][cH:7][c:8]([O:11][c:12]3[c:13]([F:21])[cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]3)[c:9]2[s:10]1.[CH3:36][O:37][CH2:38][CH2:39][O:40][CH3:41].[Na+:35].[O-:31][C:32]([OH:33])=[O:34].[OH2:42].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1.[n:22]1[cH:23][cH:24][c:25]([B:28]([OH:29])[OH:30])[cH:26][cH:27]1>>[c:2]1(-[c:25]2[cH:24][cH:23][n:22][cH:27][cH:26]2)[cH:3][c:4]2[n:5][cH:6][cH:7][c:8]([O:11][c:12]3[c:13]([F:21])[cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]3)[c:9]2[s:10]1