HRID178270

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1003

Dihydrogen phosphate

H2O4P-

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID582207

2-Butenoic acid, 4,4-dimethoxy-, methyl ester, (Z)-

C7H12O4

HCID816792

1-(isopropylsulfonyl)-4-methylbenzene

C10H14O2S

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC(C(OC)OC)C(C)(C)S(=O)(=O)c1ccc(C)cc1

HCID12850320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4fae66d3172743928dbcb58a51ab97b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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