HRID203227

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6212

Chloroform

CHCl3

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID136809

Benzophenone imine

C13H11N

HCID4574913

未命名化合物

HCID22248028

未命名化合物

PRODUCTS

生成物

HCID22662843

Methyl 6-amino-3-methoxy-2-pyrazinecarboxylate

C7H9N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c30e0e94825f4dae9182b951774d2534
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:1][c:2]1[cH:3][n:4][c:5]([O:12][CH3:13])[c:6]([C:8](=[O:9])[O:10][CH3:11])[n:7]1.[C:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)=[NH:27].[CH3:28][C:29]([CH3:30])([O-:31])[CH3:32].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH:106]([Cl:107])([Cl:108])[Cl:109].[CH:51](=[CH:52][C:53]([CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)=[O:62])[c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[CH:69](=[CH:70][C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)=[O:80])[c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[CH:87](=[CH:88][C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)=[O:98])[c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[ClH:34].[Na+:33].[Na+:36].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH-:35].[OH2:105].[Pd:49].[Pd:50]>>[c:2]1([NH2:27])[cH:3][n:4][c:5]([O:12][CH3:13])[c:6]([C:8](=[O:9])[O:10][CH3:11])[n:7]1