Ethanol → Trifluoroacetic acid

HRID 160789Notes

Reaction equation

HRID 160789 reaction equation
[C:1](#[N:2])[c:3]1[c:4]([N:21]2[CH2:22][CH:23]3[CH2:24][CH2:25][CH2:26][NH:27][CH:28]3[CH2:29]2)[c:5]([F:20])[cH:6][c:7]2[c:8](=[O:19])[c:9]([C:16](=[O:17])[OH:18])[cH:10][n:11]([CH:13]3[CH2:14][CH2:15]3)[c:12]12.[CH3:37][CH2:38][OH:39].[OH:30][C:31](=[O:32])[C:33]([F:34])([F:35])[F:36]>>[C:1](#[N:2])[c:3]1[c:4]([N:21]2[CH2:22][CH:23]3[CH2:24][CH2:25][CH2:26][NH:27][CH:28]3[CH2:29]2)[c:5]([F:20])[cH:6][c:7]2[c:8](=[O:19])[c:9]([C:16](=[O:17])[OH:18])[cH:10][n:11]([CH:13]3[CH2:14][CH2:15]3)[c:12]12.[O:30]=[C:31]([OH:32])[C:33]([F:34])([F:35])[F:36]

Participants

5

Reactant 3

HCID 702EthanolHCID 6422Trifluoroacetic acidHCID 98655067-(1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl)-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Product 2

HCID 6422Trifluoroacetic acidHCID 98655067-(1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl)-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-fd74f9c888084ca09d834eb3221efbde
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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