HRID1122167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9971

Benzoic acid, 4-amino-3-fluoro-

C7H6FNO2

HCID204484

Propylphosphonic acid

C3H9O3P

HCID29922400

tert-Butyl 2,2-dimethylpiperazine-1-carboxylate

C11H22N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(N)c(F)c2)CC1(C)C

HCID66878622

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d4d7193a38144649d05b5dca753af6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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