3,5-Dimethylphenylboronic acid → 2-[8-(3,5-Dimethyl-phenyl)-1-ethyl-6-isopropyl-1,3,4,9-tetrahydro-pyrano[3,4-B]indol-1-YL]-ethanol

반응식

[Br:1][c:2]1[cH:3][c:4]([CH:20]([CH3:21])[CH3:22])[cH:5][c:6]2[c:7]3[c:8]([nH:9][c:10]12)[C:11]([CH2:15][CH3:16])([CH2:17][CH2:18][OH:19])[O:12][CH2:13][CH2:14]3.[CH3:23][c:24]1[cH:25][c:26]([B:31]([OH:32])[OH:33])[cH:27][c:28]([CH3:30])[cH:29]1>>[c:2]1(-[c:26]2[cH:25][c:24]([CH3:23])[cH:29][c:28]([CH3:30])[cH:27]2)[cH:3][c:4]([CH:20]([CH3:21])[CH3:22])[cH:5][c:6]2[c:7]3[c:8]([nH:9][c:10]12)[C:11]([CH2:15][CH3:16])([CH2:17][CH2:18][OH:19])[O:12][CH2:13][CH2:14]3

참가 물질

반응물 2

HCID 27343493,5-Dimethylphenylboronic acid

HCID 691966962-(8-Bromo-1-ethyl-6-isopropyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-ethanol

생성물 1

HCID 114407352-[8-(3,5-Dimethyl-phenyl)-1-ethyl-6-isopropyl-1,3,4,9-tetrahydro-pyrano[3,4-B]indol-1-YL]-ethanol

출처 및 근거

ORD 기록: ord-c3d52671d6714df5b7e9bfa66e5bc9e0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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