HRID187300

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID45480320

8-Bromo-7-fluoro-2-methoxy-1,5-naphthyridine

C9H6BrFN2O

HCID76580869

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2ncc(F)c(N3CCC4(CC3)CC(O)C(NC(=O)OC(C)(C)C)C4)c2n1

HCID178487930

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05f6cfa29b8f4f4c8e66c1c4ba356cd1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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