HRID1555780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID123530

1-(Chloromethyl)-4-(methanesulfonyl)benzene

C8H9ClO2S

HCID166653

Hydride

H-

结构：CCOC(=O)C(C)(C)Oc1ccc(OCCC2CNC(=O)N2C)cc1

HCID57719191

2-Methyl-2-{4-[2-(3-methyl-2-oxo-imidazolidin-4-yl)-ethoxy]-phenoxy}-propionic acid ethyl ester

C18H26N2O5

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(OCCC2CN(Cc3ccc(S(C)(=O)=O)cc3)C(=O)N2C)cc1

HCID57719063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-795063dd0be649ea983a81382c88a3be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([O:7][c:8]1[cH:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH:17]2[N:18]([CH3:23])[C:19](=[O:22])[NH:20][CH2:21]2)[cH:12][cH:13]1)[CH3:24])=[O:25].[CH3:28][S:29](=[O:30])(=[O:31])[c:32]1[cH:33][cH:34][c:35]([CH2:36][Cl:37])[cH:38][cH:39]1.[ClH:40].[H-:27].[Na+:26].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:46]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([O:7][c:8]1[cH:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH:17]2[N:18]([CH3:23])[C:19](=[O:22])[N:20]([CH2:36][c:35]3[cH:34][cH:33][c:32]([S:29]([CH3:28])(=[O:30])=[O:31])[cH:39][cH:38]3)[CH2:21]2)[cH:12][cH:13]1)[CH3:24])=[O:25]