HRID1218981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID887

Methanol

CH4O

HCID23938

Palladium

结构：CCC(CC)(c1ccc(-c2cncc(CC(=O)OC)c2)cc1)c1ccc(C#CC2(O)CCCCC2)c(C)c1

HCID57709028

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

HCID57443538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca516b1dbbe340e6b77fbbbadf00c377
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:43].[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][n:7][cH:8][c:9](-[c:11]2[cH:12][cH:13][c:14]([C:17]([CH2:18][CH3:19])([c:20]3[cH:21][c:22]([CH3:35])[c:23]([C:26]#[C:27][C:28]4([OH:34])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]4)[cH:24][cH:25]3)[CH2:36][CH3:37])[cH:15][cH:16]2)[cH:10]1)=[O:38].[CH3:41][OH:42].[H:39][H:40].[Pd:44]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][n:7][cH:8][c:9](-[c:11]2[cH:12][cH:13][c:14]([C:17]([CH2:18][CH3:19])([c:20]3[cH:21][c:22]([CH3:35])[c:23]([CH2:26][CH2:27][C:28]4([OH:34])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]4)[cH:24][cH:25]3)[CH2:36][CH3:37])[cH:15][cH:16]2)[cH:10]1)=[O:38]