Methanol → N-{3-[2-(4-fluoro-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1,3-thiazol-5-yl]-5-methylphenyl}-4-(trifluoromethyl)pyrimidin-2-amine

HRID 1125622Notes

Reaction equation

HRID 1125622 reaction equation
[C:37]([O:38][O-:39])(=[O:40])[c:41]1[c:42]([C:47]([O-:48])=[O:49])[cH:43][cH:44][cH:45][cH:46]1.[CH3:54][OH:55].[Cl:51][CH2:52][Cl:53].[F:1][C:2]1([c:8]2[s:9][c:10](-[c:13]3[cH:14][c:15]([NH:20][c:21]4[n:22][cH:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[n:26]4)[cH:16][c:17]([CH3:19])[cH:18]3)[cH:11][n:12]2)[CH2:3][CH2:4][S:5][CH2:6][CH2:7]1.[Mg+2:50].[Na+:56].[Na+:57].[O-:58][S:59]([O-:60])(=[S:61])=[O:62].[OH2:31].[OH2:32].[OH2:33].[OH2:34].[OH2:35].[OH2:36].[OH2:63]>>[F:1][C:2]1([c:8]2[s:9][c:10](-[c:13]3[cH:14][c:15]([NH:20][c:21]4[n:22][cH:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[n:26]4)[cH:16][c:17]([CH3:19])[cH:18]3)[cH:11][n:12]2)[CH2:3][CH2:4][S:5](=[O:31])(=[O:32])[CH2:6][CH2:7]1

Participants

9

Reactant 8

HCID 887MethanolHCID 888Magnesium CationHCID 923Sodium ion2×HCID 962Water7×HCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 58456368N-{3-[2-(4-fluorotetrahydro-2H-thiopyran-4-yl)-1,3-thiazol-5-yl]-5-methylphenyl}-4-(trifluoromethyl)pyrimidin-2-amineHCID 714406072-Oxidooxycarbonylbenzoate

Product 1

HCID 58456232N-{3-[2-(4-fluoro-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1,3-thiazol-5-yl]-5-methylphenyl}-4-(trifluoromethyl)pyrimidin-2-amine

Sources & evidence

ORD record
ord-22f8688a00534a959c778505d74ef357
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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