Acetic Acid → Lansoprazole

HRID 663871Notes

Reaction equation

HRID 663871 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].[CH3:44][C:45]#[N:46].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:58][C:59](=[O:60])[OH:61].[Cl-:43].[Cl:27][N:28]1[C:29](=[O:31])[CH2:32][CH2:33][C:34]1=[O:30].[Na+:26].[Na+:40].[Na+:41].[Na+:42].[OH-:25].[OH2:62].[S:35]([O-:36])([O-:37])(=[O:38])=[S:39]>>[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:30])[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13]

Participants

12

Reactant 11

HCID 176Acetic AcidHCID 312ChlorideHCID 923Sodium ion4×HCID 961HydroxideHCID 962WaterHCID 1084Thiosulfate ionHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 31398ChlorosuccinimideHCID 1094080Lansoprazole sulfide

Product 1

HCID 3883Lansoprazole

Sources & evidence

ORD record
ord-e6a68238fd89419887161e2a2a2a7284
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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