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Potassium Cation → methyl 4'-[(4-hydroxytetrahydro-2H-thiopyran-4-yl)methoxy]-2',6,6'-trimethylbiphenyl-3-carboxylate

HRID 1150427
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HRID 1150427 반응식
[C:29](=[O:30])([O-:31])[O-:32].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[K+:33].[K+:34].[O:21]1[CH2:22][C:23]12[CH2:24][CH2:25][S:26][CH2:27][CH2:28]2.[OH:1][c:2]1[cH:3][c:4]([CH3:20])[c:5](-[c:9]2[cH:10][c:11]([C:16](=[O:17])[O:18][CH3:19])[cH:12][cH:13][c:14]2[CH3:15])[c:6]([CH3:8])[cH:7]1>>[O:1]([c:2]1[cH:3][c:4]([CH3:20])[c:5](-[c:9]2[cH:10][c:11]([C:16](=[O:17])[O:18][CH3:19])[cH:12][cH:13][c:14]2[CH3:15])[c:6]([CH3:8])[cH:7]1)[CH2:22][C:23]1([OH:21])[CH2:24][CH2:25][S:26][CH2:27][CH2:28]1
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HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 187531011-Oxa-6-thiaspiro(2.5)octaneHCID 23157223Methyl 4'-hydroxy-2',6,6'-trimethylbiphenyl-3-carboxylate

생성물 1

HCID 23157321methyl 4'-[(4-hydroxytetrahydro-2H-thiopyran-4-yl)methoxy]-2',6,6'-trimethylbiphenyl-3-carboxylate

출처 및 근거

ORD 기록
ord-8f6ca7ad9d5a43c2941e9beda58784fd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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