HRID142327

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

结构：c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID74267

Phosphine, 1,2-ethanediylbis[diphenyl-

C26H24P2

2 次

HCID67269179

未命名化合物

结构：CC(C)(C)OC(=O)N1CCCCC1C(=O)NC(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(N)=O

HCID76700719

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCCC1C(=O)NC(Cc1ccc(-c2ccc(CC#N)c(S(C)(=O)=O)c2)cc1)C(N)=O

HCID76700712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ed2b85d22fd48928a787349ef0283e8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:37][c:38]1[cH:39][c:40]([S:47](=[O:48])(=[O:49])[CH3:50])[c:41]([CH2:44][C:45]#[N:46])[cH:42][cH:43]1.[C:51](=[O:52])([O-:53])[O-:54].[K+:55].[K+:56].[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([B:11]2[O:12][C:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19]2)[cH:9][cH:10]1)[NH:20][C:21](=[O:22])[CH:23]1[N:24]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:25][CH2:26][CH2:27][CH2:28]1)=[O:36].[O:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[Pd:63].[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[CH2:72][CH2:73][P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]1.[c:92]1([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[CH2:100][CH2:101][P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116][cH:117][cH:118][cH:119]1>>[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:38]2[cH:39][c:40]([S:47](=[O:48])(=[O:49])[CH3:50])[c:41]([CH2:44][C:45]#[N:46])[cH:42][cH:43]2)[cH:9][cH:10]1)[NH:20][C:21](=[O:22])[CH:23]1[N:24]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:25][CH2:26][CH2:27][CH2:28]1)=[O:36]