p-Toluenesulfonic acid → HCID 58015888, compound

HRID 1236483Notes

Reaction equation

HRID 1236483 reaction equation
[CH3:16][c:17]1[cH:18][cH:19][c:20]([S:21]([OH:22])(=[O:23])=[O:24])[cH:25][cH:26]1.[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[Cl:1][c:2]1[n:3][cH:4][c:5]2[n:6][cH:7][n:8]([CH:11]([CH2:12][CH3:13])[CH2:14][CH3:15])[c:9]2[n:10]1.[NH2:27][c:28]1[cH:29][cH:30][c:31]([N:34]2[CH2:35][CH2:36][N:37]([C:40]([CH3:41])=[O:42])[CH2:38][CH2:39]2)[cH:32][cH:33]1.[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[c:2]1([NH:27][c:28]2[cH:29][cH:30][c:31]([N:34]3[CH2:35][CH2:36][N:37]([C:40]([CH3:41])=[O:42])[CH2:38][CH2:39]3)[cH:32][cH:33]2)[n:3][cH:4][c:5]2[n:6][cH:7][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 86637353HCID 86637353, compound

Product 1

HCID 58015888HCID 58015888, compound

Sources & evidence

ORD record
ord-6ac7947a58ec4302b471a61cfeeadd42
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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