Trifluoroacetic acid → {5-[(4-Fluoro-benzenesulfonyl)-(3-fluoro-benzyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid

HRID 2327882

반응식

HRID 2327882 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[c:9]([CH2:36][CH2:37][CH3:38])[n:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([N:17]([CH2:18][c:19]1[cH:20][c:21]([F:25])[cH:22][cH:23][cH:24]1)[S:26](=[O:27])(=[O:28])[c:29]1[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]1)[cH:16]2)=[O:39].[F:40][C:41]([F:42])([F:43])[C:44]([OH:45])=[O:46]>>[O:5]=[C:6]([CH2:7][n:8]1[c:9]([CH2:36][CH2:37][CH3:38])[n:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([N:17]([CH2:18][c:19]1[cH:20][c:21]([F:25])[cH:22][cH:23][cH:24]1)[S:26](=[O:27])(=[O:28])[c:29]1[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]1)[cH:16]2)[OH:39]

참가 물질

3

반응물 2

HCID 6422Trifluoroacetic acidHCID 67201144{5-[(4-Fluoro-benzenesulfonyl)-(3-fluoro-benzyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl ester

생성물 1

HCID 59342526{5-[(4-Fluoro-benzenesulfonyl)-(3-fluoro-benzyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid

출처 및 근거

ORD 기록
ord-b9928a6649b14933ad82978ab7f6b31f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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