HRID96117

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

2 次

HCID28486

Lithium ion

Li+

HCID70943

4,6-Dichloropyrimidine

C4H2Cl2N2

HCID95417

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

C17H14O

3 次

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID3280088

未命名化合物

HCID59613384

未命名化合物

PRODUCTS

生成物

HCID59613517

2-Pyrazinecarbonitrile, 5-[(6-chloro-4-pyrimidinyl)amino]-3-methoxy-

C10H7ClN6O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d5891e940af4c6186be4ed0e69a8238
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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