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Citric Acid → 2-[2-[Isobutyl-(4-trifluoromethyl-phenyl)-amino]-6-(4-trifluoromethyl-phenyl)-pyridin-4-yl]-4-methyl-pentanoic acid

HRID 1127401
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반응식

HRID 1127401 반응식
[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][CH:6]([CH3:7])[CH3:8])[c:9]1[cH:10][c:11]([N:25]([c:26]2[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[CH2:36][CH:37]([CH3:38])[CH3:39])[n:12][c:13](-[c:15]2[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]2)[cH:14]1)=[O:40].[Na+:55].[OH-:54].[OH:41][C:42]([CH2:43][C:44]([C:45](=[O:46])[OH:47])([CH2:48][C:49](=[O:50])[OH:51])[OH:52])=[O:53]>>[O:2]=[C:3]([CH:4]([CH2:5][CH:6]([CH3:7])[CH3:8])[c:9]1[cH:10][c:11]([N:25]([c:26]2[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[CH2:36][CH:37]([CH3:38])[CH3:39])[n:12][c:13](-[c:15]2[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]2)[cH:14]1)[OH:40]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 311Citric AcidHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 591617342-[2-[Isobutyl-(4-trifluoromethyl-phenyl)-amino]-6-(4-trifluoromethyl-phenyl)-pyridin-4-yl]-4-methyl-pentanoic acid methyl ester

생성물 1

HCID 45101430
2-[2-[Isobutyl-(4-trifluoromethyl-phenyl)-amino]-6-(4-trifluoromethyl-phenyl)-pyridin-4-yl]-4-methyl-pentanoic acid

출처 및 근거

ORD 기록
ord-ece309287e154835a2eab40140566c2f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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