HRID105241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID7237

o-Xylene

C8H10

HCID8857

Ethyl acetate

C4H8O2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID105144

Palladium(2+)

Pd+2

HCID4574913

未命名化合物

HCID16740533

tert-Butyl 3,4-dihydroquinoxaline-1(2H)-carboxylate

C13H18N2O2

HCID66863316

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCC(Oc4ccncc4)CC3)cc2)c2ccccc21

HCID66863336

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42bd8e601f2047af90aabbd9c12c0b6a
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][CH:11]([O:14][c:15]3[cH:16][cH:17][n:18][cH:19][cH:20]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1.[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[N:28]1[CH2:29][CH2:30][NH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]21.[C:44]([P:45]([C:46]([CH3:47])([CH3:48])[CH3:49])[C:50]([CH3:51])([CH3:52])[CH3:53])([CH3:54])([CH3:55])[CH3:56].[C:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH3:38][C:39]([CH3:40])([O-:41])[CH3:42].[CH3:57][c:58]1[c:59]([CH3:60])[cH:61][cH:62][cH:63][cH:64]1.[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[Na+:43].[Pd+2:69]>>[c:2]1([N:31]2[CH2:30][CH2:29][N:28]([C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[c:37]3[c:32]2[cH:33][cH:34][cH:35][cH:36]3)[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][CH:11]([O:14][c:15]3[cH:16][cH:17][n:18][cH:19][cH:20]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1