Ethanol → Lansoprazole

HRID 1206722Notes

Reaction equation

HRID 1206722 reaction equation
[CH3:2][c:3]1[c:4]([CH2:15][S:16][c:17]2[n:18][c:19]3[c:20]([nH:21]2)[cH:22][cH:23][cH:24][cH:25]3)[n:5][cH:6][cH:7][c:8]1[O:9][CH2:10][C:11]([F:12])([F:13])[F:14].[CH3:46][CH2:47][OH:48].[NH2:26][C:27](=[O:28])[NH2:29].[Na+:42].[Na+:43].[Na+:45].[OH-:44].[OH2:1].[OH2:32].[OH2:33].[OH2:34].[OH2:35].[OH2:36].[OH2:49].[OH:30][OH:31].[S:37]([O-:38])([O-:39])(=[O:40])=[S:41]>>[CH3:2][c:3]1[c:4]([CH2:15][S:16]([c:17]2[nH:18][c:19]3[c:20]([n:21]2)[cH:22][cH:23][cH:24][cH:25]3)=[O:28])[n:5][cH:6][cH:7][c:8]1[O:9][CH2:10][C:11]([F:12])([F:13])[F:14]

Participants

9

Reactant 8

HCID 702EthanolHCID 784Hydrogen PeroxideHCID 923Sodium ion3×HCID 961HydroxideHCID 962Water7×HCID 1084Thiosulfate ionHCID 1176UreaHCID 1094080Lansoprazole sulfide

Product 1

HCID 3883Lansoprazole

Sources & evidence

ORD record
ord-5ecf9dc52702463a9011b724eaa290a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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