Acetoxyacetic acid → [2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl 2-acetyloxyacetate

반응식

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

참가 물질

반응물 2

HCID 83766Acetoxyacetic acid

HCID 575581517-(5-Hydroxymethyl-2-oxooxazolidin-3-yl)-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

생성물 1

HCID 68682446[2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl 2-acetyloxyacetate

출처 및 근거

ORD 기록: ord-73f1d9ea267545a7a00901e56cf3fab8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…