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Sodium Ion → 1-[2-Tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]sulfonylpiperidine-3-carboxylic acid

HRID 209466
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인쇄 미리보기

반응식

HRID 209466 반응식
[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[n:8][c:9]2[c:10]([n:11]1[CH2:12][CH:13]1[CH2:14][CH2:15][C:16]([F:19])([F:20])[CH2:17][CH2:18]1)[cH:21][cH:22][c:23]([S:25](=[O:26])(=[O:27])[N:28]1[CH2:29][CH:30]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[CH2:31][CH2:32][CH2:33]1)[cH:24]2.[Na+:2].[OH-:1].[OH2:39]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[n:8][c:9]2[c:10]([n:11]1[CH2:12][CH:13]1[CH2:14][CH2:15][C:16]([F:19])([F:20])[CH2:17][CH2:18]1)[cH:21][cH:22][c:23]([S:25](=[O:26])(=[O:27])[N:28]1[CH2:29][CH:30]([C:34](=[O:35])[OH:36])[CH2:31][CH2:32][CH2:33]1)[cH:24]2
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참가 물질

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반응물 4

HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 76652469Ethyl 1-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]sulfonylpiperidine-3-carboxylate

생성물 1

HCID 690890241-[2-Tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]sulfonylpiperidine-3-carboxylic acid

출처 및 근거

ORD 기록
ord-d74ed0e28b7842dbad7edf435d6b39cf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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