p-Toluenesulfonic acid → HCID 24855622, compound

HRID 692086Notes

Reaction equation

HRID 692086 reaction equation
[CH3:17][c:18]1[cH:19][cH:20][c:21]([S:22]([OH:23])(=[O:24])=[O:25])[cH:26][cH:27]1.[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cl:1][c:2]1[n:3][cH:4][c:5]2[nH:6][c:7](=[O:16])[n:8]([CH:11]([CH2:12][CH3:13])[CH2:14][CH3:15])[c:9]2[n:10]1.[NH2:28][c:29]1[cH:30][cH:31][c:32]([N:35]2[CH2:36][CH2:37][N:38]([C:41]([CH3:42])=[O:43])[CH2:39][CH2:40]2)[cH:33][cH:34]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[c:2]1([NH:28][c:29]2[cH:30][cH:31][c:32]([N:35]3[CH2:36][CH2:37][N:38]([C:41]([CH3:42])=[O:43])[CH2:39][CH2:40]3)[cH:33][cH:34]2)[n:3][cH:4][c:5]2[nH:6][c:7](=[O:16])[n:8]([CH:11]([CH2:12][CH3:13])[CH2:14][CH3:15])[c:9]2[n:10]1

Participants

6

Reactant 5

HCID 6101p-Toluenesulfonic acidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 7362691-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-oneHCID 58015786HCID 58015786, compound

Product 1

HCID 24855622HCID 24855622, compound

Sources & evidence

ORD record
ord-7a17dfdc9c31452191f16fc48516ae59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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