Carbonate Ion → 4-[2,5-Difluoro-3-[4-(2-methylpyrazol-3-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide

HRID 1553081Notes

Reaction equation

HRID 1553081 reaction equation
[Br:1][c:2]1[c:3]([F:18])[c:4]([C:9]2([C:15](=[O:16])[NH2:17])[CH2:10][CH2:11][O:12][CH2:13][CH2:14]2)[cH:5][c:6]([F:8])[cH:7]1.[C:32](=[O:33])([O-:34])[O-:35].[CH2:38]1[O:39][CH2:40][CH2:41][O:42][CH2:43]1.[CH3:19][n:20]1[n:21][cH:22][cH:23][c:24]1-[c:25]1[cH:26][cH:27][c:28]([SH:31])[cH:29][cH:30]1.[Cs+:36].[Cs+:37]>>[c:2]1([S:31][c:28]2[cH:27][cH:26][c:25](-[c:24]3[n:20]([CH3:19])[n:21][cH:22][cH:23]3)[cH:30][cH:29]2)[c:3]([F:18])[c:4]([C:9]2([C:15](=[O:16])[NH2:17])[CH2:10][CH2:11][O:12][CH2:13][CH2:14]2)[cH:5][c:6]([F:8])[cH:7]1

Participants

6

Reactant 5

HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 666575024-(3-bromo-2,5-difluorophenyl)tetrahydro-2H-pyran-4-carboxamideHCID 1363314224-(1-methyl-1H-pyrazol-5-yl)benzenethiol

Product 1

HCID 666574174-[2,5-Difluoro-3-[4-(2-methylpyrazol-3-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide

Sources & evidence

ORD record
ord-f8e81464d88a40feb01746c95bc04304
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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