Ethanol → Lansoprazole

HRID 2153687Notes

Reaction equation

HRID 2153687 reaction equation
[C:41]([OH:42])([CH3:43])([CH3:44])[CH3:45].[CH2:35]([OH:36])[CH3:37].[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)[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13].[Cl:38][CH2:39][Cl:40].[Na+:32].[Na+:33].[OH2:34].[OH:25][OH:26].[S:27]([O-:28])(=[O:29])([O-:30])=[S:31]>>[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)=[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 702EthanolHCID 784Hydrogen PeroxideHCID 923Sodium ion2×HCID 962WaterHCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 6386tert-ButanolHCID 1094080Lansoprazole sulfide

Product 1

HCID 3883Lansoprazole

Sources & evidence

ORD record
ord-c45518ceedf64b30977f681e7ce614e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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