HRID159834

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID6584

Methyl acetate

C3H6O2

HCID28486

Lithium ion

Li+

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

HCID68625260

未命名化合物

PRODUCTS

生成物

HCID176

Acetic Acid

C2H4O2

HCID68625260

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3c305154b414ef9a3164dbbdd21a3dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:3][O:4][C:5]([CH3:6])=[O:7].[CH3:8][C:9]([C:10]([CH2:11][CH2:12][c:13]1[c:14]([CH3:34])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([CH2:22][CH3:23])[c:24]2[cH:25][c:26]([CH3:33])[c:27]([S:29](=[O:30])(=[O:31])[NH2:32])[s:28]2)[cH:17][cH:18]1)=[O:35])([CH3:36])[CH3:37].[Li+:2].[OH-:1]>>[CH3:8][C:9]([C:10]([CH2:11][CH2:12][c:13]1[c:14]([CH3:34])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([CH2:22][CH3:23])[c:24]2[cH:25][c:26]([CH3:33])[c:27]([S:29](=[O:30])(=[O:31])[NH2:32])[s:28]2)[cH:17][cH:18]1)=[O:35])([CH3:36])[CH3:37].[O:4]=[C:5]([CH3:6])[OH:7]