HRID679494

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID10972

Aceturic Acid

C4H7NO3

结构：CN(C(=O)N(C)C1CCNCC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID123401235

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCC(=O)N1CCC(N(C)C(=O)N(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccc(F)cc2)C1

HCID123831501

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-581559e3a97947b5b4b57b4a9ab13aa1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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