HRID2343856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9837

Benzeneacetic acid, 4-fluoro-

C8H7FO2

HCID15908

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

C8H17N3

反应SMILES：CC(C)(C)C(=O)OC1CNN(C(=O)OCc2ccccc2)C1

HCID20724748

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)C(=O)OC1CN(C(=O)Cc2ccc(F)cc2)N(C(=O)OCc2ccccc2)C1

HCID20724747

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-400c29dc67e54a439258bb80a45be20a
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

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