HRID192873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID16217985

2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl

C30H43O2P

HCID20100071

4-Cyclopropyl-2-fluoroaniline

C9H10FN

HCID59565199

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccn2cncc2c1Nc1ccc(C2CC2)cc1F

HCID59565191

8-(4-Cyclopropyl-2-fluoro-phenylamino)-imidazo[1,5-a]pyridine-7-carboxylic acid methyl ester

C18H16FN3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-984bc6dca99242b6910c0eafd1e2a36f
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

[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([Cl:14])[c:7]2[n:8]([cH:9][cH:10]1)[cH:11][n:12][cH:13]2.[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[CH:15]1([c:18]2[cH:19][c:20]([F:25])[c:21]([NH2:22])[cH:23][cH:24]2)[CH2:16][CH2:17]1.[CH:26]1([P:27]([CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2-[c:40]2[c:41]([O:42][CH:43]([CH3:44])[CH3:45])[cH:46][cH:47][cH:48][c:49]2[O:50][CH:51]([CH3:52])[CH3:53])[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1.[K+:64].[K+:65].[K+:66].[O:112]=[C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)[CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]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.[P:59]([O-:60])([O-:61])([O-:62])=[O:63].[Pd:74].[Pd:75]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([NH:22][c:21]2[c:20]([F:25])[cH:19][c:18]([CH:15]3[CH2:16][CH2:17]3)[cH:24][cH:23]2)[c:7]2[n:8]([cH:9][cH:10]1)[cH:11][n:12][cH:13]2