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

HRID 320931

반응식

HRID 320931 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[c:9]([CH2:34][CH2:35][CH3:36])[n:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([N:17]([S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1)[CH:28]1[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1)[cH:16]2)=[O:37].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44]>>[O:5]=[C:6]([CH2:7][n:8]1[c:9]([CH2:34][CH2:35][CH3:36])[n:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([N:17]([S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1)[CH:28]1[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1)[cH:16]2)[OH:37]

참가 물질

3

반응물 2

HCID 6422Trifluoroacetic acidHCID 67199864{5-[(Cyclohexyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl ester

생성물 1

HCID 59342532{5-[(Cyclohexyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid

출처 및 근거

ORD 기록
ord-d04264d18881446f95f14aa8ca9ccbb2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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