Hydrochloric Acid → Hydrochloric Acid

HRID 2137308Notes

Reaction equation

HRID 2137308 reaction equation
[ClH:40].[F:1][c:2]1[c:3]([C:8]23[N:9]=[C:10]([NH2:21])[S:11][CH2:12][CH:13]2[CH:14]([C:17]([F:18])([F:19])[F:20])[O:15][CH2:16]3)[cH:4][cH:5][cH:6][cH:7]1.[Na+:39].[OH-:38].[OH2:41].[OH:22][C:23]([C:24]([F:25])([F:26])[F:27])=[O:28].[OH:34][N+:35]([O-:36])=[O:37].[S:29](=[O:30])(=[O:31])([OH:32])[OH:33]>>[ClH:40].[F:1][c:2]1[c:3]([C:8]23[N:9]=[C:10]([NH2:21])[S:11][CH2:12][CH:13]2[CH:14]([C:17]([F:18])([F:19])[F:20])[O:15][CH2:16]3)[cH:4][c:5]([N+:35](=[O:34])[O-:36])[cH:6][cH:7]1

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 944Nitric AcidHCID 961HydroxideHCID 962WaterHCID 1118Sulfuric AcidHCID 6422Trifluoroacetic acidHCID 726717007a-(2-Fluorophenyl)-5-(trifluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine

Product 2

HCID 313Hydrochloric AcidHCID 726717017a-(2-Fluoro-5-nitrophenyl)-5-(trifluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine

Sources & evidence

ORD record
ord-8de4438cdb6242e985b85a1211de56be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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