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Ethanol → 4-[4-(1,1-Dimethylheptyl)-2-hydroxyphenyl]-2-butanol

HRID 136355
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HRID 136355 반응식
[C:29](=[O:30])([OH:31])[O-:32].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:24][CH2:25][CH:26]([CH3:27])[OH:28])[cH:11][cH:12][c:13]([C:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])([CH3:22])[CH3:23])[cH:14]1.[CH3:36][CH2:37][OH:38].[H:34][H:35].[Na+:33]>>[OH:8][c:9]1[c:10]([CH2:24][CH2:25][CH:26]([CH3:27])[OH:28])[cH:11][cH:12][c:13]([C:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])([CH3:22])[CH3:23])[cH:14]1
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반응물 5

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium IonHCID 205179964-[2-Benzyloxy-4-(1,1-dimethylheptyl)phenyl]-2-butanolHCID 178418361HCID 178418361, 화합물

생성물 1

HCID 205179974-[4-(1,1-Dimethylheptyl)-2-hydroxyphenyl]-2-butanol

출처 및 근거

ORD 기록
ord-b1b9ba0fb3714ca6bc9da55ed33b0579
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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