HRID195306

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID702

Ethanol

C2H6O

HCID23938

Palladium

结构：CC(C)CC(C(=O)OC(C)(C)C)N1C(=O)N(Cc2ccccc2)C(C)(c2ccc(Br)cc2)C1=O

HCID178445489

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)OC(C)(C)C)N1C(=O)N(Cc2ccccc2)C(C)(c2ccccc2)C1=O

HCID178445490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68fc8f38e2d74f048cd27e71c9153d6a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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