HRID2322466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID19567

3-(2-Chlorophenyl)-2-propenoic acid

C9H7ClO2

HCID19356632

Propanoic acid, 2-[4-(2-aminoethyl)phenoxy]-2-methyl-, ethyl ester

C14H21NO3

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(CCNC(=O)C=Cc2ccccc2Cl)cc1

HCID53674350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee52113a5e574efca71d16fc89b77178
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[Cl:1][c:2]1[c:3]([CH:4]=[CH:5][C:6](=[O:7])[OH:8])[cH:9][cH:10][cH:11][cH:12]1.[Cl:20][C:21]([O:22][CH2:23][CH3:24])=[O:25].[NH2:26][CH2:27][CH2:28][c:29]1[cH:30][cH:31][c:32]([O:33][C:34]([C:35](=[O:36])[O:37][CH2:38][CH3:39])([CH3:40])[CH3:41])[cH:42][cH:43]1.[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[Cl:1][c:2]1[c:3]([CH:4]=[CH:5][C:6](=[O:8])[NH:26][CH2:27][CH2:28][c:29]2[cH:30][cH:31][c:32]([O:33][C:34]([C:35](=[O:36])[O:37][CH2:38][CH3:39])([CH3:40])[CH3:41])[cH:42][cH:43]2)[cH:9][cH:10][cH:11][cH:12]1