HRID2152056

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID14232

N-Methoxymethylamine

C2H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID17964130

3-Methoxy-4-(trifluoromethyl)benzoic acid

C9H7F3O3

PRODUCTS

生成物

HCID17964059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d81e9c096c36488bb0fdaaf92b2dab34
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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