Potassium Cation → N-[7a-(5-amino-2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide

HRID 1217231Notes

Reaction equation

HRID 1217231 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([F:26])[c:6]([C:8]23[N:9]=[C:10]([NH:17][C:18]([c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)=[O:25])[S:11][CH2:12][CH:13]2[CH2:14][O:15][CH2:16]3)[cH:7]1.[C:36](=[O:37])([O-:38])[O-:39].[CH3:53][OH:54].[CH:42]1([NH2:43])[CH2:44][CH2:45][CH2:46][CH2:47][CH:48]1[NH2:49].[Cu:50][I:51].[F:27][C:28]([F:29])([F:30])[C:32]([NH2:31])=[O:33].[I-:35].[K+:40].[K+:41].[Na+:34].[OH2:52]>>[c:2]1([NH2:31])[cH:3][cH:4][c:5]([F:26])[c:6]([C:8]23[N:9]=[C:10]([NH:17][C:18]([c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)=[O:25])[S:11][CH2:12][CH:13]2[CH2:14][O:15][CH2:16]3)[cH:7]1

Participants

11

Reactant 10

HCID 813Potassium Cation2×HCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 46101,2-DiaminocyclohexaneHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 30165Iodide IonHCID 67717TrifluoroacetamideHCID 57504886N-(7a-(5-bromo-2-fluorophenyl)-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl)benzamide

Product 1

HCID 76550580N-[7a-(5-amino-2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide

Sources & evidence

ORD record
ord-0debe1efc41a4d4d982021da4402c041
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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