Trifluoroacetic acid → Trifluoroacetic acid

HRID 1541668Notes

Reaction equation

HRID 1541668 reaction equation
[C:39]([O:40][C:41]([N:42]1[CH2:43][CH2:44][C:45]([CH2:46][O:47][CH:48]([c:49]2[cH:50][c:51]([Cl:52])[cH:53][c:54]3[c:55]2[nH:56][n:57][cH:58]3)[C:59]([OH:60])=[O:61])([c:62]2[cH:63][cH:64][c:65]([F:66])[cH:67][cH:68]2)[CH2:69][CH2:70]1)=[O:71])([CH3:72])([CH3:73])[CH3:74].[Cl:8][c:9]1[cH:10][c:11]2[cH:12][n:13][nH:14][c:15]2[c:16]([CH:18]([C:19](=[O:20])[O:21][CH3:22])[O:23][CH2:24][C:25]2([c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]3)[CH2:26][CH2:27][N:28]([CH3:31])[CH2:29][CH2:30]2)[cH:17]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]>>[Cl:8][c:9]1[cH:10][c:11]2[cH:12][n:13][nH:14][c:15]2[c:16]([CH:18]([C:19](=[O:20])[OH:21])[O:23][CH2:24][C:25]2([c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]3)[CH2:26][CH2:27][N:28]([CH3:31])[CH2:29][CH2:30]2)[cH:17]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]

Participants

5

Reactant 3

HCID 6422Trifluoroacetic acidHCID 57546047methyl 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetateHCID 57546076HCID 57546076, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 251610922-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]acetic acid

Sources & evidence

ORD record
ord-cca75bb4f0f641069be7902bb1bc7ec9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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