HRID699052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID601880

3-(Methoxycarbonyl)benzoic acid

C9H8O4

HCID14523560

1-{4-[(3-Aminophenyl)methoxy]-2-hydroxy-3-propylphenyl}ethan-1-one

C18H21NO3

PRODUCTS

生成物

结构：CCCc1c(OCc2cccc(NC(=O)c3cccc(C(=O)OC)c3)c2)ccc(C(C)=O)c1O

HCID68429187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f910381529f7445ca3bed38e12aefbe3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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