Ammonium → N-(2,4,4-trimethylcyclopenten-1-yl)-N-methyl-alpha-chloroacetamide

HRID 1118600Notes

Reaction equation

HRID 1118600 reaction equation
[CH3:10][CH:11]1[CH2:12][C:13]([CH3:14])([CH3:15])[CH2:16][C:17]1=[O:18].[CH3:1][C:2]1([CH3:3])[CH2:4][CH:5]([CH3:6])[CH2:7][C:8]1=[O:9].[CH3:26][NH2:27].[CH3:33][N:34]([CH3:35])[CH3:36].[CH3:37][C:38]1([CH3:50])[CH:39]=[C:40]([N:44]([C:45]([CH2:46][Cl:47])=[O:48])[CH3:49])[CH:41]([CH3:43])[CH2:42]1.[CH3:51][CH:52]1[CH2:53][C:54]([CH3:55])([CH3:56])[C:57]([N:58]([CH3:59])[C:60](=[O:61])[CH2:62][Cl:63])=[CH:64]1.[Cl:28][CH2:29][C:30]([Cl:31])=[O:32].[NH4+:19].[NH4+:20].[O-:21][S:22](=[O:23])(=[O:24])[O-:25].[cH:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[CH3:37][C:38]1([CH3:50])[CH2:39][C:40]([N:44]([C:45]([CH2:46][Cl:47])=[O:48])[CH3:49])=[C:41]([CH3:43])[CH2:42]1

Participants

11

Reactant 10

HCID 223Ammonium2×HCID 241BenzeneHCID 1117Sulfate IonHCID 1146TrimethylamineHCID 6329MethylamineHCID 6577Chloroacetyl chlorideHCID 1073242,4,4-TrimethylcyclopentanoneHCID 1196322,2,4-TrimethylcyclopentanoneHCID 20548521N-(3,5,5-trimethylcyclopenten-1-yl)-N-methyl-alpha-chloroacetamideHCID 20548522N-(3,3,5-trimethylcyclopenten-1-yl)-N-methyl-alpha-chloroacetamide

Product 1

HCID 20548523N-(2,4,4-trimethylcyclopenten-1-yl)-N-methyl-alpha-chloroacetamide

Sources & evidence

ORD record
ord-346806bb63aa4d10a1088b136b845900
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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