Acetate → Rabeprazole

HRID 702708Notes

Reaction equation

HRID 702708 reaction equation
[CH3:1][O:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[c:8]([CH3:24])[c:9]([CH2:13][S:14][c:15]2[n:16][c:17]3[c:18]([nH:19]2)[cH:20][cH:21][cH:22][cH:23]3)[n:10][cH:11][cH:12]1.[CH3:43][C:44](=[O:45])[O-:46].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl-:48].[Cl:27][N:28]1[C:29](=[O:31])[CH2:32][CH2:33][C:34]1=[O:30].[NH4+:42].[Na+:26].[Na+:40].[Na+:41].[Na+:47].[OH-:25].[OH2:54].[S:35]([O-:36])([O-:37])(=[O:38])=[S:39]>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[c:8]([CH3:24])[c:9]([CH2:13][S:14]([c:15]2[nH:16][c:17]3[c:18]([n:19]2)[cH:20][cH:21][cH:22][cH:23]3)=[O:30])[n:10][cH:11][cH:12]1

Participants

12

Reactant 11

HCID 175AcetateHCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ion4×HCID 961HydroxideHCID 962WaterHCID 1084Thiosulfate ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 31398ChlorosuccinimideHCID 9949996Rabeprazole-thioether

Product 1

HCID 5029Rabeprazole

Sources & evidence

ORD record
ord-637336bc138a422b90455f19822ec1a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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