Hydrochloric Acid → Hydrochloric Acid

HRID 162596Notes

Reaction equation

HRID 162596 reaction equation
[CH2:16]([C:17](=[O:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[N:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[ClH:14].[ClH:15].[F:1][c:2]1[c:3]([CH2:4][S:5](=[O:6])(=[O:7])[Cl:8])[cH:9][cH:10][c:11]([F:13])[cH:12]1.[K+:31].[K+:32].[O-:33][C:34]([O-:35])=[O:36].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[ClH:8].[F:1][c:2]1[c:3]([CH2:4][S:5](=[O:6])(=[O:7])[N:28]2[CH2:27][CH2:26][N:25]([CH2:16][C:17](=[O:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:30][CH2:29]2)[cH:9][cH:10][c:11]([F:13])[cH:12]1

Participants

8

Reactant 6

HCID 313Hydrochloric Acid2×HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 2761455(2,4-difluorophenyl)methanesulfonyl ChlorideHCID 47387141-Phenyl-2-(piperazin-1-yl)ethanone

Product 2

HCID 313Hydrochloric AcidHCID 112579162-[4-[(2,4-Difluorophenyl)methylsulfonyl]piperazin-1-yl]-1-phenylethanone

Sources & evidence

ORD record
ord-6fc269d6f0cb4550abcd6149f5631e49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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