Ammonium → Hydrochloric Acid

HRID 1137162Notes

Reaction equation

HRID 1137162 reaction equation
[C:47](=[O:48])([OH:49])[O-:50].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][S:38]([Cl:39])(=[O:40])=[O:41].[CH3:52][OH:53].[Cl-:42].[Cl:44][CH2:45][Cl:46].[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][n:24]([CH2:26][CH2:27][NH:28][CH3:29])[cH:25]4)[CH2:18][CH2:19]3)[n:10][cH:11][cH:12][n:13]2)[cH:6][cH:7]1.[NH4+:43].[Na+:51]>>[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][n:24]([CH2:26][CH2:27][N:28]([CH3:29])[S:38]([CH3:37])(=[O:40])=[O:41])[cH:25]4)[CH2:18][CH2:19]3)[n:10][cH:11][cH:12][n:13]2)[cH:6][cH:7]1

Participants

11

Reactant 9

HCID 223AmmoniumHCID 312ChlorideHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 59321877HCID 59321877, compound

Product 2

HCID 313Hydrochloric AcidHCID 59322025N-[2-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethyl]-N-methylmethanesulfonamide

Sources & evidence

ORD record
ord-ad347c5efcac4fca8e4d085dc12b56a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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