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Ammonium → 2-[4-[4-[3-[4-[2-(1-Hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]phenyl]acetic acid

HRID 2139791
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반응식

HRID 2139791 반응식
[CH3:3][O:4][C:5]([CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[c:14]([CH3:39])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:36])[c:25]([CH:28]=[CH:29][C:30]4([OH:35])[CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:26][cH:27]3)[CH2:37][CH3:38])[cH:17][cH:18]2)[cH:11][cH:12]1)=[O:40].[CH3:48][OH:49].[Cl-:41].[NH4+:42].[Na+:2].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:1]>>[O:4]=[C:5]([CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[c:14]([CH3:39])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:36])[c:25]([CH:28]=[CH:29][C:30]4([OH:35])[CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:26][cH:27]3)[CH2:37][CH3:38])[cH:17][cH:18]2)[cH:11][cH:12]1)[OH:40]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 67065052Methyl 2-[4-[4-[3-[4-[2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]phenyl]acetate

생성물

1
HCID 670650112-[4-[4-[3-[4-[2-(1-Hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]phenyl]acetic acid

출처 및 근거

ORD 기록
ord-be569943968641d19a59963726299062
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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