HRID198749

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

HCID244158

N-(3-Bromo-4-methoxyphenyl)ethanimidic acid

C9H10BrNO2

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：COc1ccc(NC(C)=O)cc1Nc1ncc2c(C)nc(-c3cccc(C(F)(F)F)c3)n2n1

HCID58711948

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a65edd2e61a4dbf936f9b441cb783b8
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:22][c:23]1[cH:24][c:25]([NH:31][C:32]([CH3:33])=[O:34])[cH:26][cH:27][c:28]1[O:29][CH3:30].[C:35]([P:36]([C:37]([CH3:38])([CH3:39])[CH3:40])[c:41]1[cH:42][cH:43][cH:44][cH:45][c:46]1-[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)([CH3:53])([CH3:54])[CH3:55].[CH2:62]1[O:63][CH2:64][CH2:65][O:66][CH2:67]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.[CH3:56][C:57]([CH3:58])([O-:59])[CH3:60].[Na+:61].[O:106]=[C:107]([CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1)[CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[O:70]=[C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Pd:68].[Pd:69]>>[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]([NH:31][C:32]([CH3:33])=[O:34])[cH:26][cH:27][c:28]3[O:29][CH3:30])[n:8][cH:9][c:10]12