HRID297725

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7294

Methyl acrylate

C4H6O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)c1cc(Br)ccc1O2

HCID2794762

tert-Butyl 6-bromo-4-oxo-3,4-dihydro-1'H-spiro[1,3-benzoxazine-2,4'-piperidine]-1'-carboxylate

C17H21BrN2O4

PRODUCTS

生成物

结构：COC(=O)C=Cc1ccc2c(c1)C(=O)NC1(CCN(C(=O)OC(C)(C)C)CC1)O2

HCID66932323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27a42d842161417e9430949cfccff15a
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([O:12][c:13]3[c:14]([cH:18][c:19]([Br:22])[cH:20][cH:21]3)[C:15](=[O:17])[NH:16]2)[CH2:23][CH2:24]1.[C:47]([CH:48]=[CH2:49])(=[O:50])[O:51][CH3:52].[O-:59][C:60]([CH3:61])=[O:62].[O-:63][C:64]([CH3:65])=[O:66].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[Pd+2:58].[c:25]1([CH3:26])[cH:27][cH:28][cH:29][cH:30][c:31]1[P:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][c:38]1[CH3:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][c:45]1[CH3:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([O:12][c:13]3[c:14]([cH:18][c:19]([CH:49]=[CH:48][C:47](=[O:50])[O:51][CH3:52])[cH:20][cH:21]3)[C:15](=[O:17])[NH:16]2)[CH2:23][CH2:24]1