HRID163307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID201262

Benzeneboronic acid, p-methoxy-

C7H9BO3

反应SMILES：COc1cc(C(=O)c2nc(Br)c3ccccn23)ccc1[N+](=O)[O-]

HCID67215796

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：COc1ccc(-c2nc(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)n3ccccc23)cc1

HCID67215454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-82a558e9b4e640fc92840dab565bafa4
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:21][c:22]1[n:23][c:24]([C:31](=[O:32])[c:33]2[cH:34][c:35]([O:42][CH3:43])[c:36]([N+:39](=[O:40])[O-:41])[cH:37][cH:38]2)[n:25]2[c:26]1[cH:27][cH:28][cH:29][cH:30]2.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([B:9]([OH:10])[OH:11])[cH:7][cH:8]1.[K+:17].[K+:18].[K+:19].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH2:20].[P:12]([O-:13])([O-:14])([O-:15])=[O:16].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:22]2[n:23][c:24]([C:31](=[O:32])[c:33]3[cH:34][c:35]([O:42][CH3:43])[c:36]([N+:39](=[O:40])[O-:41])[cH:37][cH:38]3)[n:25]3[c:26]2[cH:27][cH:28][cH:29][cH:30]3)[cH:7][cH:8]1