HRID1133229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID23938

Palladium

结构：COc1cc(N(C(=O)C(C)NC(=O)OCc2ccccc2)C(=O)N(CCC2CCCCC2)c2ccccc2)c(O)c(C(C)(C)C)c1

HCID178493275

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N(C(=O)C(C)N)C(=O)N(CCC2CCCCC2)c2ccccc2)c(O)c(C(C)(C)C)c1

HCID178493274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5ab0b41b8134f389c8312b1ccbf5ebe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:48].[CH2:1]([O:2][C:3](=[O:4])[NH:11][CH:12]([CH3:13])[C:14](=[O:15])[N:16]([C:17](=[O:18])[N:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[CH2:26][CH2:27][CH:28]1[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1)[c:34]1[c:35]([OH:46])[c:36]([C:42]([CH3:43])([CH3:44])[CH3:45])[cH:37][c:38]([O:40][CH3:41])[cH:39]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:50][OH:51].[ClH:47].[Pd:49]>>[NH2:11][CH:12]([CH3:13])[C:14](=[O:15])[N:16]([C:17](=[O:18])[N:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[CH2:26][CH2:27][CH:28]1[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1)[c:34]1[c:35]([OH:46])[c:36]([C:42]([CH3:43])([CH3:44])[CH3:45])[cH:37][c:38]([O:40][CH3:41])[cH:39]1