HRID101642

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID15232123

5-(Ethoxycarbonyl)thiophene-2-carboxylic acid

C8H8O4S

PRODUCTS

产物

HCID69300800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8cc4a9afcbcd47529f944d759d33a8b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([C:11](=[O:12])[OH:13])[s:10]1.[CH2:31]([N:32]=[C:33]=[N:34][CH2:35][CH2:36][CH2:37][N:38]([CH3:39])[CH3:40])[CH3:41].[CH2:58]([Cl:59])[Cl:60].[CH3:14][N:15]([CH2:16][CH2:17][NH2:18])[CH3:19].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH:47]([Cl:48])([Cl:49])[Cl:50].[ClH:30].[Na+:42].[OH:20][n:21]1[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[n:28][n:29]1.[OH:43][C:44](=[O:45])[O-:46]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([C:11](=[O:13])[NH:18][CH2:17][CH2:16][N:15]([CH3:14])[CH3:19])[s:10]1