Acetic Acid → Tert-butyl 3-[(4-acetylpiperazin-1-yl)methyl]-5-methylphenylcarbamate

HRID 89656Notes

Reaction equation

HRID 89656 reaction equation
[C:18]([CH3:19])(=[O:20])[N:21]1[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]1.[C:27]([OH:28])(=[O:29])[CH3:30].[CH:1](=[O:2])[c:3]1[cH:4][c:5]([NH:10][C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[cH:6][c:7]([CH3:9])[cH:8]1.[Cl:31][CH:32]([Cl:33])[CH3:34].[Na+:39].[O-:35][C:36]([OH:37])=[O:38]>>[CH2:1]([c:3]1[cH:4][c:5]([NH:10][C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[cH:6][c:7]([CH3:9])[cH:8]1)[N:24]1[CH2:23][CH2:22][N:21]([C:18]([CH3:19])=[O:20])[CH2:26][CH2:25]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 63651,1-DichloroethaneHCID 837951-AcetylpiperazineHCID 22288418HCID 22288418, compound

Product 1

HCID 22288425Tert-butyl 3-[(4-acetylpiperazin-1-yl)methyl]-5-methylphenylcarbamate

Sources & evidence

ORD record
ord-3e7afb1df1654718976b3da1ba99e9f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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