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Methanol → [4-({Butyl[4'-(trifluoromethyl)-1,1'-biphenyl-3-yl]amino}sulfonyl)-2-methylphenoxy]acetic acid

HRID 1570074
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반응식

HRID 1570074 반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]([S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11]([CH3:22])[c:12]([O:13][CH2:14][C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:20][cH:21]1)[c:23]1[cH:24][c:25](-[c:29]2[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]2)[cH:26][cH:27][cH:28]1.[CH3:41][OH:42].[Na+:40].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:39]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]([S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11]([CH3:22])[c:12]([O:13][CH2:14][C:15](=[O:16])[OH:17])[cH:20][cH:21]1)[c:23]1[cH:24][c:25](-[c:29]2[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]2)[cH:26][cH:27][cH:28]1
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반응물 5

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 58622863Ethyl [4-({butyl[4'-(trifluoromethyl)-1,1'-biphenyl-3-yl]amino}sulfonyl)-2-methylphenoxy]acetate

생성물 1

HCID 18448307[4-({Butyl[4'-(trifluoromethyl)-1,1'-biphenyl-3-yl]amino}sulfonyl)-2-methylphenoxy]acetic acid

출처 및 근거

ORD 기록
ord-44f57a6c082649dbbe56aaf0e7d65db3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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