Hydrochloric Acid → 1-{6-[5-Oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl]pyrimidin-4-yl}azetidine-3-carboxylic acid

HRID 184528

Reaction equation

HRID 184528 reaction equation
[Cl:10][c:11]1[cH:12][c:13](-[n:17]2[nH:18][cH:19][c:20](-[n:23]3[n:24][n:25][cH:26][cH:27]3)[c:21]2=[O:22])[n:14][cH:15][n:16]1.[ClH:1].[ClH:9].[NH:2]1[CH2:3][CH:4]([C:6](=[O:7])[OH:8])[CH2:5]1.[Na+:29].[OH-:28].[OH2:30]>>[N:2]1([c:11]2[cH:12][c:13](-[n:17]3[nH:18][cH:19][c:20](-[n:23]4[n:24][n:25][cH:26][cH:27]4)[c:21]3=[O:22])[n:14][cH:15][n:16]2)[CH2:3][CH:4]([C:6](=[O:7])[OH:8])[CH2:5]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 931923-azetidinecarboxylic AcidHCID 579250772-(6-chloropyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one

Product 1

HCID 444646101-{6-[5-Oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl]pyrimidin-4-yl}azetidine-3-carboxylic acid

Sources & evidence

ORD record
ord-3fed0a5a35a94ea68932222a72842ca0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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