Acetic Acid → Lansoprazole

HRID 314801Notes

Reaction equation

HRID 314801 reaction equation
[CH3:1][c:2]1[c:3]([CH2:14][S:15][c:16]2[n:17][c:18]3[c:19]([nH:20]2)[cH:21][cH:22][cH:23][cH:24]3)[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13].[CH3:34][C:35](=[O:36])[OH:37].[CH3:38][OH:39].[Na+:26].[Na+:27].[Na+:28].[O-:29][S:30]([O-:31])(=[S:32])=[O:33].[OH-:25].[OH2:40].[OH:41][OH:42]>>[CH3:1][c:2]1[c:3]([CH2:14][S:15]([c:16]2[nH:17][c:18]3[c:19]([n:20]2)[cH:21][cH:22][cH:23][cH:24]3)=[O:29])[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 887MethanolHCID 923Sodium ion3×HCID 961HydroxideHCID 962WaterHCID 1084Thiosulfate ionHCID 1094080Lansoprazole sulfide

Product 1

HCID 3883Lansoprazole

Sources & evidence

ORD record
ord-77ec5c7ef2c14616a2095e60f0538082
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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