Acetone → HCID 178519765, compound

HRID 163683Notes

Reaction equation

HRID 163683 reaction equation
[CH3:27][C:28](=[O:29])[CH3:30].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[Cl:6])[cH:7][c:8]([NH:11][SH:12](=[O:13])=[O:14])[cH:9][cH:10]1.[c:15]1([N:21]2[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]2)[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[N:24]2[CH2:23][CH2:22][N:21]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[CH2:26][CH2:25]2)[cH:7][c:8]([NH:11][SH:12](=[O:13])=[O:14])[cH:9][cH:10]1

Participants

4

Reactant 3

HCID 180AcetoneHCID 70961-PhenylpiperazineHCID 178521119HCID 178521119, compound

Product 1

HCID 178519765HCID 178519765, compound

Sources & evidence

ORD record
ord-22762ae956954ab59f77d81fdeb2dd33
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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