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

HRID 310443

Reaction equation

HRID 310443 reaction equation
[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]([S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1)[CH2:28][c:29]1[cH:30][cH:31][c:32]([Cl: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]([S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1)[CH2:28][c:29]1[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]1)[cH:16]2)[OH:39]

Participants

3

Reactant 2

HCID 6422Trifluoroacetic acidHCID 67199541{5-[(4-Chloro-benzyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl ester

Product 1

HCID 11670790{5-[(4-Chloro-benzyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid

Sources & evidence

ORD record
ord-b8528fd951e043e3b374f2c0910dd123
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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