HRID2143993

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

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

结构：CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1

HCID16217654

tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate

C14H23BN2O4

结构：Cn1ncc2cc(Oc3ccc([N+](=O)[O-])cc3F)c(Br)cc21

HCID66766853

6-Bromo-5-(2-fluoro-4-nitrophenoxy)-1-methyl-1H-indazole

C14H9BrFN3O3

PRODUCTS

生成物

结构：Cn1ncc2cc(Oc3ccc([N+](=O)[O-])cc3F)c(-c3cnn(C(=O)OC(C)(C)C)c3)cc21

HCID66767215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7b03d324e2841a79dbfeab08bb1385a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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