HRID303346

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

结构：Cc1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734938

2-(Dicyclohexylphosphino)-2'-methylbiphenyl

C25H33P

结构：Cc1ccc(C(=O)NC2CC2)cc1B1OC(C)(C)C(C)(C)O1

HCID21914577

未命名化合物

HCID68454866

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2nncc3cc(-c4cc(C(=O)NC5CC5)ccc4C)ccc23)c(C)c1

HCID68452425

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4da8bfa1def460ba076588acb4cf1d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:68](=[O:69])([O-:70])[O-:71].[CH3:80][OH:81].[CH:20]1([NH:23][C:24]([c:25]2[cH:26][c:27]([B:32]3[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]3)[c:28]([CH3:31])[cH:29][cH:30]2)=[O:41])[CH2:21][CH2:22]1.[CH:42]1([P:43]([CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2-[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[CH3:62])[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]1.[Cl:1][c:2]1[cH:3][c:4]2[cH:5][n:6][n:7][c:8](-[c:12]3[c:13]([CH3:19])[cH:14][c:15]([CH3:18])[cH:16][cH:17]3)[c:9]2[cH:10][cH:11]1.[K+:72].[K+:73].[O:102]=[C:103]([CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1)[CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1.[O:120]=[C:121]([CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1)[CH:130]=[CH:131][c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]1.[O:74]1[CH2:75][CH2:76][O:77][CH2:78][CH2:79]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[OH2:138].[Pd:82].[Pd:83]>>[c:2]1(-[c:27]2[cH:26][c:25]([C:24]([NH:23][CH:20]3[CH2:21][CH2:22]3)=[O:41])[cH:30][cH:29][c:28]2[CH3:31])[cH:3][c:4]2[cH:5][n:6][n:7][c:8](-[c:12]3[c:13]([CH3:19])[cH:14][c:15]([CH3:18])[cH:16][cH:17]3)[c:9]2[cH:10][cH:11]1