HRID214832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID95417

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

C17H14O

3 次

HCID57657535

未命名化合物

HCID59218345

6-Chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile

C12H11ClN4O

PRODUCTS

生成物

结构：N#Cc1nc(-c2ccc(OCCCO)c(C(F)(F)F)c2)cc2c1ncn2C1CCCCO1

HCID57657538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3da1ec4fed9147bd862676266d83f6d2
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

[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[CH:37]1([P:38]([CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[Cl:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([C:8]#[N:9])[n:7]1)[n:10][cH:11][n:12]2[CH:13]1[O:14][CH2:15][CH2:16][CH2:17][CH2:18]1.[K+:61].[K+:62].[K+:63].[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:127]1[CH2:128][CH2:129][O:130][CH2:131][CH2:132]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[OH2:126].[OH:19][CH2:20][CH2:21][CH2:22][O:23][c:24]1[c:25]([C:33]([F:34])([F:35])[F:36])[cH:26][c:27]([B:30]([OH:31])[OH:32])[cH:28][cH:29]1.[P:56]([O-:57])([O-:58])([O-:59])=[O:60].[Pd:70].[Pd:71]>>[c:2]1(-[c:27]2[cH:26][c:25]([C:33]([F:34])([F:35])[F:36])[c:24]([O:23][CH2:22][CH2:21][CH2:20][OH:19])[cH:29][cH:28]2)[cH:3][c:4]2[c:5]([c:6]([C:8]#[N:9])[n:7]1)[n:10][cH:11][n:12]2[CH:13]1[O:14][CH2:15][CH2:16][CH2:17][CH2:18]1