HRID2135573

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID11644

Chloroiodomethane

CH2ClI

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

结构：C=CCOc1cccc(CC(NC(=O)OC(C)(C)C)C(=O)OC)c1

HCID67375232

未命名化合物

PRODUCTS

生成物

结构：C=CCOc1cccc(CC(NC(=O)OC(C)(C)C)C(=O)CCl)c1

HCID90708759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3187b985b744d4494947135bc9fa604
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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