HRID108198

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID204484

Propylphosphonic acid

C3H9O3P

HCID58055819

未命名化合物

结构：CC1CN(Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CCN1

HCID87392835

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CCN1C(=O)c1ccc(NC(=O)NCC2CC2)cc1

HCID72535251

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08db09341edf4f4fb46068d30abe2d5a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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