HRID939080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID2734617

tert-Butyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

C17H26BNO4

HCID21072609

3-[(5-Bromopyrimidin-2-yl)oxy]-1-azabicyclo[2.2.2]octane

C11H14BrN3O

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(-c2cnc(OC3CN4CCC3CC4)nc2)cc1

HCID69433847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43b91d6e1c0546328785fb7a9dd48132
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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