HRID819338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19356632

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

C14H21NO3

结构：Cc1nc(-c2ccc(C(F)(F)F)cc2)ccc1CC(=O)O

HCID21935927

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(CCNC(=O)Cc2ccc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1

HCID67072270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42167025b5cd4721896c1c8af2d181bf
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][NH2:17])[cH:13][cH:14]1)=[O:18].[CH3:19][c:20]1[n:21][c:22](-[c:30]2[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]2)[cH:23][cH:24][c:25]1[CH2:26][C:27](=[O:28])[OH:29]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][NH:17][C:27]([CH2:26][c:25]2[c:20]([CH3:19])[n:21][c:22](-[c:30]3[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]3)[cH:23][cH:24]2)=[O:28])[cH:13][cH:14]1)=[O:18]