HRID2326858

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID24150

5-Ethenyl-2-pyrrolidinone

C6H9NO

HCID166653

Hydride

H-

结构：CC(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)Cl

HCID178477275

未命名化合物

PRODUCTS

生成物

结构：C=CC1CCC(=O)N1C(=O)C(C)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

HCID178436683

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be1bb5fe2d1d4044826e5847704156ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:11]([CH3:12])([CH3:13])([CH3:14])[c:15]1[cH:16][c:17]([S:26][CH:27]([C:28](=[O:29])[Cl:30])[CH3:31])[cH:18][c:19]([C:22]([CH3:23])([CH3:24])[CH3:25])[c:20]1[OH:21].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH:3](=[CH2:4])[CH:5]1[CH2:6][CH2:7][C:8](=[O:10])[NH:9]1.[Cl-:32].[H-:1].[Na+:2].[OH2:40]>>[CH:3](=[CH2:4])[CH:5]1[CH2:6][CH2:7][C:8](=[O:10])[N:9]1[C:28]([CH:27]([S:26][c:17]1[cH:16][c:15]([C:11]([CH3:12])([CH3:13])[CH3:14])[c:20]([OH:21])[c:19]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:18]1)[CH3:31])=[O:29]