HRID99287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID4574913

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(CNc2cc(Cl)ncn2)CC1

HCID45787122

tert-Butyl 4-{[(6-chloropyrimidin-4-yl)amino]methyl}piperidine-1-carboxylate

C15H23ClN4O2

HCID59613433

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CNc2cc(Nc3cnc(C#CCO[Si](C)(C)C(C)(C)C)cn3)ncn2)CC1

HCID66746379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1258322f583d4b54a23c48f0c27a8628
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:100]([O-:101])(=[O:102])[CH3:103].[C:105]([O-:106])(=[O:107])[CH3:108].[CH3:87][C:88]([CH3:89])([O-:90])[CH3:91].[CH3:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[Cl:65][c:66]1[cH:67][c:68]([NH:72][CH2:73][CH:74]2[CH2:75][CH2:76][N:77]([C:80](=[O:81])[O:82][C:83]([CH3:84])([CH3:85])[CH3:86])[CH2:78][CH2:79]2)[n:69][cH:70][n:71]1.[NH2:47][c:48]1[n:49][cH:50][c:51]([C:54]#[C:55][CH2:56][O:57][Si:58]([CH3:59])([CH3:60])[C:61]([CH3:62])([CH3:63])[CH3:64])[n:52][cH:53]1.[Na+:92].[O:109]=[CH:110][N:111]([CH3:112])[CH3:113].[Pd+2:104].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:14][cH:15][cH:16][cH:17]3)[c:18]2-[c:19]2[c:20]3[c:21]([cH:22][cH:23][cH:24][cH:25]3)[cH:26][cH:27][c:28]2[P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[NH:47]([c:48]1[n:49][cH:50][c:51]([C:54]#[C:55][CH2:56][O:57][Si:58]([CH3:59])([CH3:60])[C:61]([CH3:62])([CH3:63])[CH3:64])[n:52][cH:53]1)[c:66]1[cH:67][c:68]([NH:72][CH2:73][CH:74]2[CH2:75][CH2:76][N:77]([C:80](=[O:81])[O:82][C:83]([CH3:84])([CH3:85])[CH3:86])[CH2:78][CH2:79]2)[n:69][cH:70][n:71]1