Sodium ion → Lansoprazole

HRID 670494Notes

Reaction equation

HRID 670494 reaction equation
[CH3:2][c:3]1[c:4]([CH2:15][S:16][c:17]2[n:18][c:19]3[c:20]([nH:21]2)[cH:22][cH:23][cH:24][cH:25]3)[n:5][cH:6][cH:7][c:8]1[O:9][CH2:10][C:11]([F:12])([F:13])[F:14].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:56][N:57]1[CH2:58][CH2:59][CH2:60][C:61]1=[O:62].[Na+:54].[Na+:55].[OH2:1].[OH2:44].[OH2:45].[OH2:46].[OH2:47].[OH2:48].[OH2:63].[OH:26][O:27][C:28]([c:29]1[cH:30][c:31]([Cl:32])[cH:33][cH:34][cH:35]1)=[O:36].[S:49]([O-:50])([O-:51])(=[O:52])=[S:53]>>[CH3:2][c:3]1[c:4]([CH2:15][S:16]([c:17]2[nH:18][c:19]3[c:20]([n:21]2)[cH:22][cH:23][cH:24][cH:25]3)=[O:26])[n:5][cH:6][cH:7][c:8]1[O:9][CH2:10][C:11]([F:12])([F:13])[F:14]

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962Water7×HCID 1084Thiosulfate ionHCID 8471TriethylamineHCID 13387N-methyl-2-pyrrolidoneHCID 70297m-Chloroperbenzoic acidHCID 1094080Lansoprazole sulfide

Product 1

HCID 3883Lansoprazole

Sources & evidence

ORD record
ord-ea06fff66e3c489ca68447357b8b2db4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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