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Potassium Cation → 5-{[2-Tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl}-6-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-2-phenyl-2,3-dihydro-4h-pyran-4-one

HRID 205240
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HRID 205240 반응식
[C:24]([CH3:25])([CH3:26])([CH3:27])[c:28]1[c:29]([S:37][S:38]([c:39]2[cH:40][cH:41][c:42]([CH3:43])[cH:44][cH:45]2)(=[O:46])=[O:47])[cH:30][c:31]([CH3:36])[c:32]([CH2:34][OH:35])[cH:33]1.[K+:48].[K+:49].[O-:50][C:51]([O-:52])=[O:53].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH:1][C:2]1=[CH:3][C:4](=[O:23])[O:5][C:6]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([CH2:14][CH2:15][c:16]2[cH:17][c:18]([OH:22])[cH:19][cH:20][cH:21]2)[CH2:7]1>>[OH:1][C:2]1=[C:3]([S:37][c:29]2[c:28]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:33][c:32]([CH2:34][OH:35])[c:31]([CH3:36])[cH:30]2)[C:4](=[O:23])[O:5][C:6]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([CH2:14][CH2:15][c:16]2[cH:17][c:18]([OH:22])[cH:19][cH:20][cH:21]2)[CH2:7]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 10499026S-[2-Tert-butyl-4-(hydroxymethyl)-5-methylphenyl] 4-methylbenzenesulfonothioateHCID 54682293HCID 54682293, 화합물

생성물 1

HCID 54682292
5-{[2-Tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl}-6-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-2-phenyl-2,3-dihydro-4h-pyran-4-one

출처 및 근거

ORD 기록
ord-176fa3978c1749aaae1b610da078036e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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