Methanol → 3-[2-(4-Benzyloxy-phenyl)-ethyl]-3-hydroxy-4-methyl-pentanoic acid methyl ester

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][C:17]([CH2:18][C:19](=[O:20])[OH:21])([CH:22]([CH3:23])[CH3:24])[OH:25])[cH:13][cH:14]1.[CH3:31][OH:32].[S:26](=[O:27])(=[O:28])([OH:29])[OH:30]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][C:17]([CH2:18][C:19]([O:20][CH3:31])=[O:21])([CH:22]([CH3:23])[CH3:24])[OH:25])[cH:13][cH:14]1

참가 물질

반응물 3

HCID 887Methanol

HCID 1118Sulfuric Acid

HCID 187986573-[2-(4-Benzyloxy-phenyl)-ethyl]-3-hydroxy-4-methyl-pentanoic acid

생성물 1

HCID 537325303-[2-(4-Benzyloxy-phenyl)-ethyl]-3-hydroxy-4-methyl-pentanoic acid methyl ester

출처 및 근거

ORD 기록: ord-208b747aa22d43cdb447e7f9a71548a7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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