HRID293037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID2734090

3-Bromophenethyl alcohol

C8H9BrO

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID4574913

未命名化合物

结构：Cc1nc(-c2cccc(C(F)(F)F)c2)n2nc(N)ncc12

HCID58712001

2-Amino-5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin

C13H10F3N5

PRODUCTS

生成物

结构：Cc1nc(-c2cccc(C(F)(F)F)c2)n2nc(Nc3cccc(CCO)c3)ncc12

HCID11384403

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f998c01418645fd8e2c2279aefae19f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:22][c:23]1[cH:24][c:25]([CH2:29][CH2:30][OH:31])[cH:26][cH:27][cH:28]1.[C:32]([P:33]([C:34]([CH3:35])([CH3:36])[CH3:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1-[c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)([CH3:50])([CH3:51])[CH3:52].[CH2:59]1[O:60][CH2:61][CH2:62][O:63][CH2:64]1.[CH3:1][c:2]1[n:3][c:4](-[c:12]2[cH:13][c:14]([C:18]([F:19])([F:20])[F:21])[cH:15][cH:16][cH:17]2)[n:5]2[n:6][c:7]([NH2:11])[n:8][cH:9][c:10]12.[CH3:53][C:54]([CH3:55])([O-:56])[CH3:57].[Na+:58].[O:103]=[C:104]([CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1)[CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1.[O:67]=[C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[Pd:65].[Pd:66]>>[CH3:1][c:2]1[n:3][c:4](-[c:12]2[cH:13][c:14]([C:18]([F:19])([F:20])[F:21])[cH:15][cH:16][cH:17]2)[n:5]2[n:6][c:7]([NH:11][c:23]3[cH:24][c:25]([CH2:29][CH2:30][OH:31])[cH:26][cH:27][cH:28]3)[n:8][cH:9][c:10]12