Formic Acid → 6-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)piperidin-1-yl)-1-methyl-1H-indole-3-carboxylic acid

HRID 120779Notes

Reaction equation

HRID 120779 reaction equation
[CH:1]([OH:2])=[O:3].[Cl:4][c:5]1[c:6](-[c:12]2[n:13][o:14][c:15]([CH:42]3[CH2:43][CH2:44]3)[c:16]2[CH2:17][O:18][CH:19]2[CH2:20][CH2:21][N:22]([c:25]3[cH:26][cH:27][c:28]4[c:29]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[cH:30][n:31]([CH3:34])[c:32]4[cH:33]3)[CH2:23][CH2:24]2)[c:7]([Cl:11])[cH:8][cH:9][cH:10]1.[OH2:45]>>[Cl:4][c:5]1[c:6](-[c:12]2[n:13][o:14][c:15]([CH:42]3[CH2:43][CH2:44]3)[c:16]2[CH2:17][O:18][CH:19]2[CH2:20][CH2:21][N:22]([c:25]3[cH:26][cH:27][c:28]4[c:29]([C:35](=[O:36])[OH:37])[cH:30][n:31]([CH3:34])[c:32]4[cH:33]3)[CH2:23][CH2:24]2)[c:7]([Cl:11])[cH:8][cH:9][cH:10]1

Participants

4

Reactant 3

HCID 284Formic AcidHCID 962WaterHCID 59369339tert-Butyl 6-(4-{[3-(2,6-dichlorophenyl)-5-cyclopropylisoxazol-4-yl]methoxy}piperidyl)-1-methylindole-3-carboxylate

Product 1

HCID 252047676-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)piperidin-1-yl)-1-methyl-1H-indole-3-carboxylic acid

Sources & evidence

ORD record
ord-b8cc22fa97f044e5ad82ca3901c7c513
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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