Methane → Ethyl 4-decylpiperazine-1-carboxylate

HRID 2324468Notes

Reaction equation

HRID 2324468 reaction equation
[CH2:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[OH:27].[CH2:28]([OH:29])[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH3:12][S:13]([OH:14])(=[O:15])=[O:16].[CH3:51][CH2:52][OH:53].[CH4:44].[K+:45].[K+:46].[N:1]1([C:7](=[O:8])[O:9][CH2:10][CH3:11])[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[O-:47][C:48]([O-:49])=[O:50].[S:39]([Cl:40])([Cl:41])(=[O:42])=[O:43]>>[N:1]1([C:7](=[O:8])[O:9][CH2:10][CH3:11])[CH2:2][CH2:3][N:4]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 297MethaneHCID 702EthanolHCID 813Potassium Cation2×HCID 6395Methanesulfonic AcidHCID 81741-Decanol2×HCID 84311-Piperazinecarboxylic acid, ethyl esterHCID 19660Carbonate IonHCID 24648Sulfuryl chloride

Product 1

HCID 228932Ethyl 4-decylpiperazine-1-carboxylate

Sources & evidence

ORD record
ord-612900e80aaa48c192b6e58c9724951a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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