Sodium ion → 3-(3-(Tert-butoxycarbonyl(methyl)carbamoyl)-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl)-4-methylbenzoic acid

HRID 142458Notes

Reaction equation

HRID 142458 reaction equation
[CH3:30][c:31]1[c:32]([B:40]2[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]2)[cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]1.[Cl:1][c:2]1[cH:3][c:4]2[n:5]([c:6]([F:8])[cH:7]1)[n:9][c:10](-[c:23]1[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]1)[c:11]2[C:12](=[O:13])[N:14]([C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH3:22].[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1.[OH2:61]>>[c:2]1(-[c:32]2[c:31]([CH3:30])[cH:39][cH:38][c:34]([C:35](=[O:36])[OH:37])[cH:33]2)[cH:3][c:4]2[n:5]([c:6]([F:8])[cH:7]1)[n:9][c:10](-[c:23]1[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]1)[c:11]2[C:12](=[O:13])[N:14]([C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH3:22]

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 160860864-Methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acidHCID 59233766Tert-butyl 5-chloro-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl(methyl)carbamate

Product 1

HCID 592338333-(3-(Tert-butoxycarbonyl(methyl)carbamoyl)-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl)-4-methylbenzoic acid

Sources & evidence

ORD record
ord-1d11a9e59a9648579d9234914282abdf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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