HRID686426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID7237

o-Xylene

C8H10

HCID8083

Morpholine

C4H9NO

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

HCID22486152

未命名化合物

PRODUCTS

产物

HCID9825445

2-(4-Fluorophenyl)-1-(2-cyclopentylamino-4-pyrimidinyl)-5-(morpholino)imidazo[4,5-b]pyridine

C25H26FN7O

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-64d53dfce4aa4e4db35fc26247fe8c54
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

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