HRID183746

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

HCID13341115

5-(Trifluoromethyl)pyrazin-2-amine

C5H4F3N3

HCID57742463

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1cnc(Nc2ncnc3sc(Cc4c(Cl)cccc4Cl)nc23)cn1

HCID42642035

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f40b4d2481442519820034911162f9c
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

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