Hydrochloric Acid → Hydrochloric Acid

HRID 2321622Notes

Reaction equation

HRID 2321622 reaction equation
[C:2]([CH3:3])([CH3:4])([CH3:5])[O:6][C:7](=[O:8])[c:9]1[cH:10][n:11][c:12](-[n:15]2[nH:16][cH:17][c:18](-[n:21]3[n:22][n:23][cH:24][cH:25]3)[c:19]2=[O:20])[cH:13][cH:14]1.[CH2:26]([Cl:27])[Cl:28].[ClH:1].[F:29][C:30]([F:31])([F:32])[C:33]([OH:34])=[O:35]>>[ClH:1].[O:6]=[C:7]([OH:8])[c:9]1[cH:10][n:11][c:12](-[n:15]2[nH:16][cH:17][c:18](-[n:21]3[n:22][n:23][cH:24][cH:25]3)[c:19]2=[O:20])[cH:13][cH:14]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 24812792tert-butyl 6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinate

Product 2

HCID 313Hydrochloric AcidHCID 596036066-(5-Oxo-4-(1h-1,2,3-Triazol-1-Yl)-2,5-Dihydro-1h-Pyrazol-1-Yl)nicotinic Acid

Sources & evidence

ORD record
ord-983ac58742544036895dcf94b03150d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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