Hydrochloric Acid → [4-(2,5-Dimethyl-phenyl)-piperazin-1-yl]-[1-(4-fluoro-2-methyl-phenyl)-4-(3-methoxy-benzenesulfonyl)-piperazin-2-yl]-methanone

HRID 2136440Notes

Reaction equation

HRID 2136440 reaction equation
[CH2:45]([N:46]([CH2:47][CH3:48])[CH2:49][CH3:50])[CH3:51].[CH3:2][c:3]1[c:4]([N:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[CH:18]3[N:19]([c:24]4[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]4)[CH2:20][CH2:21][NH:22][CH2:23]3)[CH2:14][CH2:15]2)[cH:5][c:6]([CH3:9])[cH:7][cH:8]1.[CH3:37][O:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[ClH:1].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[S:32](=[O:33])(=[O:34])([Cl:35])[Cl:36]>>[CH3:2][c:3]1[c:4]([N:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[CH:18]3[N:19]([c:24]4[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]4)[CH2:20][CH2:21][N:22]([S:32](=[O:33])(=[O:34])[c:43]4[cH:42][cH:41][cH:40][c:39]([O:38][CH3:37])[cH:44]4)[CH2:23]3)[CH2:14][CH2:15]2)[cH:5][c:6]([CH3:9])[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 7519AnisoleHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 24648Sulfuryl chlorideHCID 44474093HCID 44474093, compound

Product 1

HCID 25188663[4-(2,5-Dimethyl-phenyl)-piperazin-1-yl]-[1-(4-fluoro-2-methyl-phenyl)-4-(3-methoxy-benzenesulfonyl)-piperazin-2-yl]-methanone

Sources & evidence

ORD record
ord-a7749ac1a8094022b8221ede9d0053c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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