HRID2345803

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6809

Phthalimide

C8H5NO2

HCID8857

Ethyl acetate

C4H8O2

HCID5462222

Potassium

HCID21461272

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(OS(C)(=O)=O)CC1CN1C(=O)c2ccccc2C1=O

HCID178452483

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da994b51ebfb4157bf658c11a8fa1a76
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:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH:20]([CH2:29][OH:30])[CH2:21][CH:22]([O:24][S:25](=[O:26])(=[O:27])[CH3:28])[CH2:23]1.[C:31]1(=[O:41])[c:32]2[c:33]([cH:37][cH:38][cH:39][cH:40]2)[C:34](=[O:36])[NH:35]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[K:42].[OH2:43].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH:20]([CH2:29][N:35]2[C:31](=[O:41])[c:32]3[c:33]([cH:37][cH:38][cH:39][cH:40]3)[C:34]2=[O:36])[CH2:21][CH:22]([O:24][S:25](=[O:26])(=[O:27])[CH3:28])[CH2:23]1