Acetic Acid → Lansoprazole

HRID 1216981Notes

Reaction equation

HRID 1216981 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].[CH3:41][C:42](=[O:43])[OH:44].[CH3:45][C:46](=[O:47])[CH3:48].[CH3:50][C:51]#[N:52].[Cl:27][O-:28].[Na+:26].[Na+:29].[Na+:39].[Na+:40].[O-:30][Cl:31].[OH-:25].[OH2:49].[S:32](=[O:33])([S:34]([O-:35])=[O:36])([O-:37])=[O:38]>>[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:33])[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13]

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 180AcetoneHCID 923Sodium ion4×HCID 961HydroxideHCID 962WaterHCID 6342AcetonitrileHCID 61739Hypochlorite2×HCID 159940DisulfiteHCID 1094080Lansoprazole sulfide

Product 1

HCID 3883Lansoprazole

Sources & evidence

ORD record
ord-3e9de08a0daa431298e1a687b74371a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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