Ammonium → Hydrochloric Acid

HRID 154286Notes

Reaction equation

HRID 154286 reaction equation
[Br:26][CH2:27][CH2:28][S:29](=[O:30])(=[O:31])[CH3:32].[C:33](=[O:34])([O-:35])[O-:36].[C:44](=[O:45])([OH:46])[O-:47].[CH3:41][C:42]#[N:43].[CH3:49][OH:50].[Cl-:39].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([N:14]3[CH2:15][CH2:16][N:17]([CH2:20][c:21]4[cH:22][n:23][nH:24][cH:25]4)[CH2:18][CH2:19]3)[n:10][cH:11][cH:12][n:13]2)[cH:6][cH:7]1.[K+:37].[K+:38].[NH4+:40].[Na+:48]>>[ClH:39].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([N:14]3[CH2:15][CH2:16][N:17]([CH2:20][c:21]4[cH:22][n:23]([CH2:27][CH2:28][S:29](=[O:30])(=[O:31])[CH3:32])[n:24][cH:25]4)[CH2:18][CH2:19]3)[n:10][cH:11][cH:12][n:13]2)[cH:6][cH:7]1

Participants

12

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 887MethanolHCID 923Sodium ionHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 137257571-Bromo-2-(methylsulfonyl)ethaneHCID 593217433'-(4-fluoro-phenyl)-4-(1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl

Product 2

HCID 313Hydrochloric AcidHCID 593218052-(4-Fluorophenyl)-3-[4-[[1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrazine

Sources & evidence

ORD record
ord-1c57d209367b4769b5be40a75cc6b8aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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