Acetonitrile → 2,2-Dimethyl-5-[(3-oxo-5-(2-chlorophenyl)-1-cyclohexenylamino)methylene]-[1,3]dioxane-4,6-dione

HRID 123374

반응식

HRID 123374 반응식
[CH3:1][O:2][CH:3]=[C:4]1[C:5](=[O:13])[O:6][C:7]([CH3:11])([CH3:12])[O:8][C:9]1=[O:10].[CH3:29][C:30]#[N:31].[NH2:14][C:15]1=[CH:16][C:17](=[O:28])[CH2:18][CH:19]([c:21]2[c:22]([Cl:27])[cH:23][cH:24][cH:25][cH:26]2)[CH2:20]1>>[CH:3](=[C:4]1[C:5](=[O:13])[O:6][C:7]([CH3:11])([CH3:12])[O:8][C:9]1=[O:10])[NH:14][C:15]1=[CH:16][C:17](=[O:28])[CH2:18][CH:19]([c:21]2[c:22]([Cl:27])[cH:23][cH:24][cH:25][cH:26]2)[CH2:20]1

참가 물질

4

반응물 3

HCID 6342AcetonitrileHCID 1521115-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dioneHCID 98593161-Amino-5-(2-chlorophenyl)cyclohexen-3-one

생성물 1

HCID 110251952,2-Dimethyl-5-[(3-oxo-5-(2-chlorophenyl)-1-cyclohexenylamino)methylene]-[1,3]dioxane-4,6-dione

출처 및 근거

ORD 기록
ord-6ea31df756724ba1bfe49dc5e47f1050
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…