HRID1213672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID598777

4-phenylpyrimidin-2-amine

C10H9N3

结构：CC(C)(C)OC(=O)NC(c1ccc(Br)cc1)C(F)(F)F

HCID68775432

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(c1ccc(Nc2nccc(-c3ccccc3)n2)cc1)C(F)(F)F

HCID68774457

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f06b227f7db487db8b6970bc2d781fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:14][c:15]1[cH:16][cH:17][c:18]([CH:21]([C:22]([F:23])([F:24])[F:25])[NH:26][C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[cH:19][cH:20]1.[C:34](=[O:35])([O-:36])[O-:37].[CH3:96][O:97][CH2:98][CH2:99][O:100][CH3:101].[Cs+:38].[Cs+:39].[O:42]=[C:43]([CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[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.[Pd:40].[Pd:41].[c:1]1(-[c:7]2[n:8][c:9]([NH2:13])[n:10][cH:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][c:9]([NH:13][c:15]3[cH:16][cH:17][c:18]([CH:21]([C:22]([F:23])([F:24])[F:25])[NH:26][C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[cH:19][cH:20]3)[n:10][cH:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1