HRID1218805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID1147

Trimethylsulfonium

C3H9S+

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID4574913

未命名化合物

结构：CCOC(=O)c1ccc(C2CCC(=CC(=O)OC(C)(C)C)CC2)cc1

HCID66740127

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(C2CCC3(CC2)CC3C(=O)OC(C)(C)C)cc1

HCID66740128

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e8964a2694c4d01931aeb72f8b176a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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