HRID100622

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

HCID2795507

4-(iodomethyl)tetrahydro-2H-pyran

C6H11IO

HCID5062348

未命名化合物

HCID12238955

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(CC1CCOCC1)c1ccc(S(C)(=O)=O)cc1

HCID21094178

Ethyl tetrahydro-α-[4-(methylsulfonyl)phenyl]-2H-pyran-4-propanoate

C17H24O5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-218b86cd81364e8c9c61dd02298f0a2d
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

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