HRID702370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID10439

2-Aminopyridine

C5H6N2

HCID23938

Palladium

2 次

HCID27284

Fe +2 ion

Fe+2

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

结构：Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(I)c1

HCID66877122

未命名化合物

HCID178420532

未命名化合物

2 次

PRODUCTS

生成物

结构：Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(Nc2ccccn2)c1

HCID58614822

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79c9810d59ea48b192179895812a33e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:30][C:31]([CH3:32])([O-:33])[CH3:34].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:1][c:2]1[c:3]([I:22])[cH:4][c:5]([NH:8][C:9](=[O:10])[c:11]2[c:12]([CH3:21])[n:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:6][cH:7]1.[Fe+2:135].[K+:35].[NH2:23][c:24]1[n:25][cH:26][cH:27][cH:28][cH:29]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].[cH:117]1[cH:118][cH:119][c:120]([P:121]([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c-:128]2[cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1.[cH:99]1[cH:100][cH:101][c:102]([P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c-:110]2[cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[Cl:1][c:2]1[c:3]([NH:23][c:24]2[n:25][cH:26][cH:27][cH:28][cH:29]2)[cH:4][c:5]([NH:8][C:9](=[O:10])[c:11]2[c:12]([CH3:21])[n:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:6][cH:7]1