Chloride → 2-{2-cyclopentyl-1-[3-fluoro-4-(1-hydroxy-1-methyl-ethyl)-phenyl]-ethyl}-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid

HRID 1145301Notes

Reaction equation

HRID 1145301 reaction equation
[CH3:40][CH2:41][OH:42].[CH:1]1([CH2:6][CH:7]([c:8]2[cH:9][c:10]([F:24])[c:11]([C:14]([CH3:15])([O:16][CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21][O:22]3)[CH3:23])[cH:12][cH:13]2)[c:25]2[cH:26][c:27]3[c:28]([n:29][cH:30][c:31]([C:33](=[O:34])[OH:35])[cH:32]3)[nH:36]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl-:39].[OH2:37].[OH2:38]>>[CH:1]1([CH2:6][CH:7]([c:8]2[cH:9][c:10]([F:24])[c:11]([C:14]([CH3:15])([OH:16])[CH3:23])[cH:12][cH:13]2)[c:25]2[cH:26][c:27]3[c:28]([n:29][cH:30][c:31]([C:33](=[O:34])[OH:35])[cH:32]3)[nH:36]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

5

Reactant 4

HCID 312ChlorideHCID 702EthanolHCID 962Water2×HCID 672287672-(2-cyclopentyl-1-{3-fluoro-4-[1-methyl-1-(tetrahydro-pyran-2-yloxy)-ethyl]-phenyl}-ethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

Product 1

HCID 532514092-{2-cyclopentyl-1-[3-fluoro-4-(1-hydroxy-1-methyl-ethyl)-phenyl]-ethyl}-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid

Sources & evidence

ORD record
ord-7d012f3eeddb465f82facb4ba632aaf0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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