HRID1558480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID82099

2-(4-Fluorobenzoyl)benzoic acid

C14H9FO3

HCID95849

Glycine, N-methyl-, ethyl ester

C5H11NO2

PRODUCTS

生成物

结构：CCOC(=O)CN(C)C(=O)c1ccccc1C(=O)c1ccc(F)cc1

HCID21463059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00ba46f48846473cb2f7b0c378d08621
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

[CH2:29]1[CH2:30][CH2:31][CH:32]([N:33]=[C:34]=[N:35][CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2)[CH2:42][CH2:43]1.[CH2:45]([CH3:46])[O:47][C:48]([CH2:49][NH:50][CH3:51])=[O:52].[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[ClH:44].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14][cH:15][cH:16]2)[cH:17][cH:18]1.[OH:19][n:20]1[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[n:27][n:28]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[c:9]([C:10](=[O:12])[N:50]([CH2:49][C:48]([O:47][CH2:45][CH3:46])=[O:52])[CH3:51])[cH:13][cH:14][cH:15][cH:16]2)[cH:17][cH:18]1