HRID1201051

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID12315

N-Methyl-N-propylamine

C4H11N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID21085829

未命名化合物

PRODUCTS

产物

反应SMILES：CCCN(C)C(=O)c1cc(CO)cc(C(=O)OCC)c1

HCID68816479

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e7dcc667db674cfc88f6cda19b8b2afd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][c:12]([CH2:14][OH:15])[cH:13]1)=[O:16].[CH3:17][NH:18][CH2:19][CH2:20][CH3:21].[CH3:23][N:24]([CH3:25])[CH2:26][CH2:27][CH2:28][N:29]=[C:30]=[N:31][CH2:32][CH3:33].[Cl:45][CH2:46][Cl:47].[ClH:22].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:34].[OH:35][n:36]1[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][c:7]([C:8](=[O:10])[N:18]([CH3:17])[CH2:19][CH2:20][CH3:21])[cH:11][c:12]([CH2:14][OH:15])[cH:13]1)=[O:16]