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

HRID 301849

Reaction equation

HRID 301849 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[c:9]([CH2:37][CH2:38][CH3:39])[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[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]1)[cH:16]2)=[O:40].[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47]>>[O:5]=[C:6]([CH2:7][n:8]1[c:9]([CH2:37][CH2:38][CH3:39])[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[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]1)[cH:16]2)[OH:40]

Participants

3

Reactant 2

HCID 6422Trifluoroacetic acidHCID 67200626{5-[(2-Cyano-benzyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl ester

Product 1

HCID 67200031{5-[(2-Cyano-benzyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid

Sources & evidence

ORD record
ord-878feea638b34a14a179b6493670705f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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