HRID2127668

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

结构：CN(C)C(=O)c1cc(OCC(=O)OCc2ccccc2)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

HCID58706373

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1cc(OCC(=O)O)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

HCID23130252

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34ae0a66135b4b72b42f9391c38ddb5f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:49].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][O:11][c:12]1[cH:13][c:14]([C:37]([N:38]([CH3:39])[CH3:40])=[O:41])[c:15]([NH:18][C:19](=[O:20])[c:21]2[c:22](-[c:27]3[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]3)[cH:23][cH:24][cH:25][cH:26]2)[cH:16][cH:17]1)=[O:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Pd:50]>>[O:8]=[C:9]([CH2:10][O:11][c:12]1[cH:13][c:14]([C:37]([N:38]([CH3:39])[CH3:40])=[O:41])[c:15]([NH:18][C:19](=[O:20])[c:21]2[c:22](-[c:27]3[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]3)[cH:23][cH:24][cH:25][cH:26]2)[cH:16][cH:17]1)[OH:42]