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Methanol → [4-(5-tert-Butyl-3-hydroxymethyl-4-isopropoxy-2-methyl-phenylethynyl)-phenyl]-acetic acid methyl ester

HRID 1572635
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인쇄 미리보기

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HRID 1572635 반응식
[BH4-:31].[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[c:14]([CH3:29])[c:15]([CH:27]=[O:28])[c:16]([O:23][CH:24]([CH3:25])[CH3:26])[c:17]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:18]2)[cH:9][cH:10]1)=[O:30].[CH3:33][OH:34].[Na+:32]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[c:14]([CH3:29])[c:15]([CH2:27][OH:28])[c:16]([O:23][CH:24]([CH3:25])[CH3:26])[c:17]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:18]2)[cH:9][cH:10]1)=[O:30]
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참가 물질

5

반응물 4

HCID 887MethanolHCID 923Sodium IonHCID 28123BorohydrideHCID 60029385HCID 60029385, 화합물

생성물 1

HCID 60029384[4-(5-tert-Butyl-3-hydroxymethyl-4-isopropoxy-2-methyl-phenylethynyl)-phenyl]-acetic acid methyl ester

출처 및 근거

ORD 기록
ord-2db665d38a144a1ba6658528fc0537c9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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