Methanol → N-(4-Chlorobenzyl)-4-hydroxy-6-(3-hydroxyprop-1-ynyl)-1-methyl-1H-thieno[2,3-c][1,2]thiazine-3-carboxamide 2,2-Dioxide

HRID 184727Notes

Reaction equation

HRID 184727 reaction equation
[CH3:47][OH:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[C:10]2=[C:11]([OH:32])[c:12]3[c:13]([s:19][c:20]([C:22]#[C:23][CH2:24][O:25][CH:26]4[CH2:27][CH2:28][CH2:29][CH2:30][O:31]4)[cH:21]3)[N:14]([CH3:18])[S:15]2(=[O:16])=[O:17])[cH:33][cH:34]1.[OH2:35].[c:36]1([CH3:37])[cH:38][cH:39][c:40]([S:41]([OH:42])(=[O:43])=[O:44])[cH:45][cH:46]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[C:10]2=[C:11]([OH:32])[c:12]3[c:13]([s:19][c:20]([C:22]#[C:23][CH2:24][OH:25])[cH:21]3)[N:14]([CH3:18])[S:15]2(=[O:16])=[O:17])[cH:33][cH:34]1

Participants

5

Reactant 4

HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 69731037N-(4-Chlorobenzyl)4-hydroxy-1-methyl-6-(3-(tetrahydro-2H-pyran-2-yloxy)prop-1-ynyl)-1H-thieno[2,3-c][1,2]thiazine-3-carboxamide 2,2-Dioxide

Product 1

HCID 54676514N-(4-Chlorobenzyl)-4-hydroxy-6-(3-hydroxyprop-1-ynyl)-1-methyl-1H-thieno[2,3-c][1,2]thiazine-3-carboxamide 2,2-Dioxide

Sources & evidence

ORD record
ord-5da83c261ff34c85992b8e3a41f778f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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