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Acetone → 25-HydroxyluMisterol3

HRID 691578
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인쇄 미리보기

반응식

HRID 691578 반응식
[C:48]1([Zr+2:49][C:50]2=[CH:54][CH:53]=[CH:52][CH2:51]2)=[CH:58][CH:57]=[CH:56][CH2:55]1.[CH3:1][C:2]([CH3:3])([CH2:4][CH:5]=[CH:6][CH:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]2[C:13]3=[CH:14][CH:15]=[C:16]4[CH2:17][CH:18]([OH:28])[CH2:19][CH2:20][C:21]4([CH3:22])[CH:23]3[CH2:24][CH2:25][C:26]12[CH3:27])[OH:29].[CH3:35][C:36](=[O:37])[CH3:38].[Cl-:46].[Cl-:47].[ClH:39].[O:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1.[cH:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH3:1][C:2]([CH3:3])([CH2:4][CH2:5][CH2:6][CH:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]2[C:13]3=[CH:14][CH:15]=[C:16]4[CH2:17][CH:18]([OH:28])[CH2:19][CH2:20][C:21]4([CH3:22])[CH:23]3[CH2:24][CH2:25][C:26]12[CH3:27])[OH:29]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 180AcetoneHCID 241BenzeneHCID 312Chloride2회HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 178420571HCID 178420571, 화합물HCID 178443693HCID 178443693, 화합물

생성물 1

HCID 12945177
25-HydroxyluMisterol3

출처 및 근거

ORD 기록
ord-da9554627c2344148ace1387eb66d29c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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