HRID701013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1117

Sulfate

O4S-2

2 次

HCID104810

Barium (II) ion

Ba+2

HCID105144

Palladium(2+)

Pd+2

结构：C=CCOc1cc(C(=O)NC(Cc2ccccc2)C(O)CC(C)C(=O)NCCC(C)(C)C)cc(N2CCCC2=O)c1

HCID22252985

未命名化合物

PRODUCTS

生成物

HCID22253060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-355628a38fc34ccba02677ecba23452c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Ba+2:49].[CH2:1]([CH:2]=[CH2:3])[O:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][CH:11]([CH:12]([CH2:13][CH:14]([CH3:15])[C:16]([NH:17][CH2:18][CH2:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[OH:25])[CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][c:34]([N:36]2[C:37](=[O:41])[CH2:38][CH2:39][CH2:40]2)[cH:35]1.[CH3:42][OH:43].[Pd+2:50].[S:44]([O-:45])([O-:46])(=[O:47])=[O:48].[S:51]([O-:52])([O-:53])(=[O:54])=[O:55]>>[CH2:1]([CH2:2][CH3:3])[O:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][CH:11]([CH:12]([CH2:13][CH:14]([CH3:15])[C:16]([NH:17][CH2:18][CH2:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[OH:25])[CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][c:34]([N:36]2[C:37](=[O:41])[CH2:38][CH2:39][CH2:40]2)[cH:35]1