Hydrochloric Acid → 5-[(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2-(6-methylpyridazin-3-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine

HRID 1131736Notes

Reaction equation

HRID 1131736 reaction equation
[CH3:2][c:3]1[cH:4][cH:5][c:6](-[n:9]2[n:10][c:11]3[c:12]([cH:17]2)[CH2:13][NH:14][CH2:15][CH2:16]3)[n:7][n:8]1.[CH3:38][C:39]#[N:40].[Cl:18][CH2:19][C:20](=[O:21])[N:22]1[CH2:23][CH2:24][N:25]([CH:28]2[CH2:29][CH2:30][CH2:31]2)[CH2:26][CH2:27]1.[ClH:1].[K+:32].[K+:33].[O-:34][C:35]([O-:36])=[O:37]>>[CH3:2][c:3]1[cH:4][cH:5][c:6](-[n:9]2[n:10][c:11]3[c:12]([cH:17]2)[CH2:13][N:14]([CH2:19][C:20](=[O:21])[N:22]2[CH2:23][CH2:24][N:25]([CH:28]4[CH2:29][CH2:30][CH2:31]4)[CH2:26][CH2:27]2)[CH2:15][CH2:16]3)[n:7][n:8]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 573568872-(6-Methylpyridazin-3-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridineHCID 574205621-(Chloroacetyl)-4-cyclobutylpiperazine

Product 1

HCID 574207005-[(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2-(6-methylpyridazin-3-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine

Sources & evidence

ORD record
ord-c9189ea2b7b6446cbfeee5f338376a82
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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