HRID291569

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID7290

3-Chloro-1,2-propanediol

C3H7ClO2

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID47263

Cetaben

C23H39NO2

HCID166653

Hydride

H-

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCCNc1ccc(C(=O)OCC(O)CO)cc1

HCID13019380

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20b1bb67bf0740dfb5f76de51700998e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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