HRID2319997

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

HCID1514401

1-(2-N-Boc-aminoethyl)piperazine

C11H23N3O2

HCID45480320

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

C9H6BrFN2O

PRODUCTS

生成物

结构：COc1ccc2ncc(F)c(N3CCN(CCNC(=O)OC(C)(C)C)CC3)c2n1

HCID57599576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-474ab0d8997a4fe6b5104017d5391e97
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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