HRID669334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID74499

Trimethylsulfoxonium

C3H9OS+

HCID166653

Hydride

H-

结构：CC(C)(C)c1ccc(CCC=O)cc1NC(=O)CC1c2ccccc2Oc2ccccc21

HCID19966225

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CCC2CO2)cc1NC(=O)CC1c2ccccc2Oc2ccccc21

HCID19966191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c14d6085fa5748de8dfa38476f933a00
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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