HRID2335830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

3 次

HCID961

Hydroxide

HO-

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID2734768

未命名化合物

结构：Cc1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734938

2-(Dicyclohexylphosphino)-2'-methylbiphenyl

C25H33P

结构：Cn1c(=O)c(Br)cc2cnn(-c3c(F)cccc3F)c21

HCID46197691

未命名化合物

HCID58702151

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(NC3CC3)noc2c1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O

HCID25052671

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f23911079ed44299718a35c586f35ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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