Hydrochloric Acid → 1-(4-chlorophenyl)-1H-pyrazole

HRID 2144795Notes

Reaction equation

HRID 2144795 reaction equation
[C:43](=[O:44])([OH:45])[O-:46].[CH3:22][O:23][CH:24]([O:25][CH3:26])[CH2:27][CH:28]([O:29][CH3:30])[O:31][CH3:32].[CH3:48][CH2:49][OH:50].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]([C:13](=[O:14])[CH2:15][N:16]3[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]3)[cH:12]2)[cH:6][cH:7]1.[Cl:34][c:35]1[cH:36][cH:37][c:38]([NH:39][NH2:40])[cH:41][cH:42]1.[ClH:33].[Na+:47]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][cH:11][cH:12]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 66019TetramethoxypropaneHCID 70624(4-Chlorophenyl)hydrazineHCID 709839161-[1-(4-Chloro-phenyl)-1H-pyrazol-4-yl]-2-piperidin-1-yl-ethanone

Product 1

HCID 122381321-(4-chlorophenyl)-1H-pyrazole

Sources & evidence

ORD record
ord-a59df3a94a944a5ba84a90bef9e74139
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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