Potassium Cation → 6,7-Difluorobenzo[B]thiazolo[3,4-D][1,4]oxazine-1(4H)-thione

HRID 1535576Notes

Reaction equation

HRID 1535576 reaction equation
[C:20](=[O:21])([O-:22])[O-:23].[CH3:38][C:39]#[N:40].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[H-:18].[K+:24].[K+:25].[Na+:19].[Na+:26].[Na+:27].[O-:28][C:29](=[O:30])[O-:31].[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[OH:1][CH2:2][c:3]1[n:4](-[c:9]2[c:10]([F:17])[c:11]([F:16])[c:12]([F:15])[cH:13][cH:14]2)[c:5](=[S:8])[s:6][cH:7]1>>[O:1]1[CH2:2][c:3]2[n:4]([c:5](=[S:8])[s:6][cH:7]2)-[c:9]2[c:10]1[c:11]([F:16])[c:12]([F:15])[cH:13][cH:14]2

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 923Sodium ion3×HCID 6228DimethylformamideHCID 6342AcetonitrileHCID 19660Carbonate Ion2×HCID 312751,4-DioxaneHCID 166653HydrideHCID 146733094-hydroxymethyl-3-(2,3,4-trifluorophenyl)-2(3H)-thiazolethione

Product 1

HCID 146733106,7-Difluorobenzo[B]thiazolo[3,4-D][1,4]oxazine-1(4H)-thione

Sources & evidence

ORD record
ord-46576aea48844a93911f652a7c16d91c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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