HRID300504

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID10584808

3-bromo-5-isopropoxypyridine

C8H10BrNO

HCID15546849

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1cncc(C=CCC(C)N(C)C(=O)OC(C)(C)C)c1

HCID54263715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1daee379cbf4af98a2e2edde16cf838
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

[CH3:12][N:13]([CH:14]([CH3:15])[CH2:16][CH:17]=[CH2:18])[C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:65][C:66]#[N:67].[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][c:7]([Br:11])[cH:8][n:9][cH:10]1.[O-:57][C:58]([CH3:59])=[O:60].[O-:61][C:62]([CH3:63])=[O:64].[OH2:55].[Pd+2:56].[c:26]1([CH3:27])[cH:28][cH:29][cH:30][cH:31][c:32]1[P:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][c:39]1[CH3:40])[c:41]1[cH:42][cH:43][cH:44][cH:45][c:46]1[CH3:47]>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][c:7]([CH:18]=[CH:17][CH2:16][CH:14]([N:13]([CH3:12])[C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH3:15])[cH:8][n:9][cH:10]1