Ethanol → 2-({2-Oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 1140Toluene

HCID 221747532-(2-Hydroxy-3-((4-(3-oxomorpholino)phenyl)amino)propyl)isoindoline-1,3-dione

생성물 1

HCID 221747512-({2-Oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione

출처 및 근거

ORD 기록: ord-88aa4754d541418bbb0f97e412406e92
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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