HRID1563929

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID204484

Propylphosphonic acid

C3H9O3P

结构：OC(c1ccc(CN2CCNCC2)cc1)(C(F)(F)F)C(F)(F)F

HCID86638566

未命名化合物

HCID178520281

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccc(C(=O)N2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1)NCC1CC1

HCID59175900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fa35c8d4f44469f817bde4d233d3220
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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