HRID313841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID887

Methanol

CH4O

HCID23938

Palladium

结构：COC(=O)c1csc(NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)OCc2ccccc2)c2ccc(OC)c(C)c2)n1

HCID87579998

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1csc(NC(=O)C(Cc2ccccc2)NC(=O)C(N)c2ccc(OC)c(C)c2)n1

HCID87580044

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52060de868184b73b1aa9ce35b0c46c9
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

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