HRID2156309

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID204484

Propylphosphonic acid

C3H9O3P

HCID46941402

Ethyl 3-(4-aminophenyl)-2-methylpropanoate

C12H17NO2

HCID58566306

未命名化合物

HCID58566415

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)Cc1ccc(NC(=O)c2cc(F)cc3c2OC(C)(C)C3)cc1

HCID67405616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68dc844570b64f6f94b61fb41f9d9741
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

[CH2:47]([N:48]([CH2:49][CH3:50])[CH2:51][CH3:52])[CH3:53].[CH2:54]([P:55]([OH:56])(=[O:57])[OH:58])[CH2:59][CH3:60].[Cl:61][CH2:62][Cl:63].[F:16][c:17]1[c:18]([F:19])[c:20]([C:21]([OH:22])=[O:23])[c:24]2[c:30]([cH:31]1)[CH2:29][C:26]([CH3:27])([CH3:28])[O:25]2.[F:1][c:2]1[cH:3][c:4]([C:13](=[O:14])[OH:15])[c:5]2[c:6]([cH:12]1)[CH2:7][C:8]([CH3:10])([CH3:11])[O:9]2.[NH2:32][c:33]1[cH:34][cH:35][c:36]([CH2:39][CH:40]([C:41](=[O:42])[O:43][CH2:44][CH3:45])[CH3:46])[cH:37][cH:38]1>>[F:1][c:2]1[cH:3][c:4]([C:13](=[O:15])[NH:32][c:33]2[cH:34][cH:35][c:36]([CH2:39][CH:40]([C:41](=[O:42])[O:43][CH2:44][CH3:45])[CH3:46])[cH:37][cH:38]2)[c:5]2[c:6]([cH:12]1)[CH2:7][C:8]([CH3:10])([CH3:11])[O:9]2