HRID123467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6584

Methyl acetate

C3H6O2

结构：[O]=[Cr](=[O])([O-])[O][Cr](=[O])(=[O])[O-]

HCID24503

Dichromate

Cr2O7-2

HCID4989215

Pyridinium

C5H6N+

2 次

结构：CCC(CC)(c1ccc(CCC(O)C(C)(C)C)c(C)c1)c1cc(C)c(S(N)(=O)=O)s1

HCID68625814

未命名化合物

PRODUCTS

生成物

HCID6584

Methyl acetate

C3H6O2

HCID68625260

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a832674ebeff4c2bbe142fb3e46cd77e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:27]([CH3:28])[C:29]([CH2:30][CH3:31])([c:32]1[cH:33][c:34]([CH3:46])[c:35]([CH2:38][CH2:39][CH:40]([C:41]([CH3:42])([CH3:43])[CH3:44])[OH:45])[cH:36][cH:37]1)[c:47]1[cH:48][c:49]([CH3:56])[c:50]([S:52](=[O:53])(=[O:54])[NH2:55])[s:51]1.[CH3:22][O:23][C:24]([CH3:25])=[O:26].[Cr:1]([O:2][Cr:3]([O-:4])(=[O:5])=[O:6])([O-:7])(=[O:8])=[O:9].[nH+:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[nH+:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[CH2:27]([CH3:28])[C:29]([CH2:30][CH3:31])([c:32]1[cH:33][c:34]([CH3:46])[c:35]([CH2:38][CH2:39][C:40]([C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45])[cH:36][cH:37]1)[c:47]1[cH:48][c:49]([CH3:56])[c:50]([S:52](=[O:53])(=[O:54])[NH2:55])[s:51]1.[CH3:22][O:23][C:24]([CH3:25])=[O:26]