Bicarbonate Ion → 1-Benzyl-3-(2-methylsulfanyl-ethyl)-1,4,8-triazaspiro[4,5]decan-2-one

HRID 281132Notes

Reaction equation

HRID 281132 reaction equation
[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[N:15]1[C:16](=[O:36])[CH:17]([CH2:32][CH2:33][S:34][CH3:35])[NH:18][C:19]12[CH2:20][CH2:21][N:22]([C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[CH2:23][CH2:24]2.[Cl:42][CH2:43][Cl:44].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[Na+:41].[O-:37][C:38]([OH:39])=[O:40]>>[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[N:15]1[C:16](=[O:36])[CH:17]([CH2:32][CH2:33][S:34][CH3:35])[NH:18][C:19]12[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]2

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 68839414Tert-butyl 4-benzyl-2-(2-methylsulfanylethyl)-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylate

Product 1

HCID 684475881-Benzyl-3-(2-methylsulfanyl-ethyl)-1,4,8-triazaspiro[4,5]decan-2-one

Sources & evidence

ORD record
ord-79f00d5bebf54df4b94dbcc667854e73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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