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Acetic Acid → 1,1,1,3,3,3-Hexafluoro-2-[2-(hydroxymethyl)-4-(methoxymethoxy)-3-propylphenyl]propan-2-ol

HRID 664887
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HRID 664887 반응식
[C:36](=[O:37])([O-:38])[OH:39].[CH3:32][C:33](=[O:34])[OH:35].[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[c:10]([CH2:22][O:23][CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][O:29]2)[c:11]([CH2:19][CH2:20][CH3:21])[c:12]([O:15][CH2:16][O:17][CH3:18])[cH:13][cH:14]1)([F:30])[F:31].[Na+:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH2:46]>>[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[c:10]([CH2:22][OH:23])[c:11]([CH2:19][CH2:20][CH3:21])[c:12]([O:15][CH2:16][O:17][CH3:18])[cH:13][cH:14]1)([F:30])[F:31]
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7

반응물 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 579008411,1,1,3,3,3-hexafluoro-2-[4-(methoxymethoxy)-3-propyl-2-[(tetrahydro-2H-pyran-2-yloxy)methyl]phenyl]propan-2-ol

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HCID 57900790
1,1,1,3,3,3-Hexafluoro-2-[2-(hydroxymethyl)-4-(methoxymethoxy)-3-propylphenyl]propan-2-ol

출처 및 근거

ORD 기록
ord-86cfa62f4a9048edaa85d13bc840da5c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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