HRID684747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75567

4-Pyrrolidinopyridine

C9H12N2

HCID2801745

3-pentanone oxime

C5H11NO

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2cc(C(=O)O)c(Cl)cc2F)c1=O

HCID12056789

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)=NOC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

HCID19994233

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07c68df10cd34b85b8af4e17b0002548
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

[CH3:1][CH2:2][C:3]([CH2:4][CH3:5])=[N:6][OH:7].[CH3:58][CH2:59][O:60][CH2:61][CH3:62].[CH:32]1([N:33]=[C:34]=[N:35][CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2)[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[Cl:8][c:9]1[c:10]([C:11](=[O:12])[OH:13])[cH:14][c:15](-[n:19]2[c:20](=[O:31])[n:21]([CH3:30])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][c:24]2=[O:25])[c:16]([F:18])[cH:17]1.[N:47]1([c:48]2[cH:49][cH:50][n:51][cH:52][cH:53]2)[CH2:54][CH2:55][CH2:56][CH2:57]1>>[CH3:1][CH2:2][C:3]([CH2:4][CH3:5])=[N:6][O:7][C:11]([c:10]1[c:9]([Cl:8])[cH:17][c:16]([F:18])[c:15](-[n:19]2[c:20](=[O:31])[n:21]([CH3:30])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][c:24]2=[O:25])[cH:14]1)=[O:12]