HRID2321783

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

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

结构：O=C(OCc1ccccc1)N1CCN(c2ccc(Br)cc2)CC1

HCID46739494

Benzyl 4-(4-bromophenyl)piperazine-1-carboxylate

C18H19BrN2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCN(C(=O)OCc4ccccc4)CC3)cc2)c2ccccc21

HCID66863580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b840a2aabfd04abcae1bbd70c521cccc
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

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