HRID1212475

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：O=C1CNCCN1Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

HCID86638571

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC1CC1)Nc1ccc(C(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)C(=O)C2)cc1

HCID59175839

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbef9cc121f54ec5999424188389d597
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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:1]1([CH2:4][NH:5][C:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16]2)=[O:17])[CH2:2][CH2:3]1.[Cl:56][CH2:57][Cl:58].[F:18][C:19]([C:20]([C:21]([F:22])([F:23])[F:24])([OH:25])[c:26]1[cH:27][cH:28][c:29]([CH2:30][N:31]2[C:32](=[O:37])[CH2:33][NH:34][CH2:35][CH2:36]2)[cH:38][cH:39]1)([F:40])[F:41]>>[CH:1]1([CH2:4][NH:5][C:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([C:12](=[O:14])[N:34]3[CH2:33][C:32](=[O:37])[N:31]([CH2:30][c:29]4[cH:28][cH:27][c:26]([C:20]([C:19]([F:18])([F:40])[F:41])([C:21]([F:22])([F:23])[F:24])[OH:25])[cH:39][cH:38]4)[CH2:36][CH2:35]3)[cH:15][cH:16]2)=[O:17])[CH2:2][CH2:3]1