Ethyl Acetate → 4-[3-[2-Chloro-4-(2-methylpyrazol-3-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide

HRID 111592Notes

Reaction equation

HRID 111592 reaction equation
[Br:1][c:2]1[cH:3][c:4]([Cl:24])[c:5]([S:8][c:9]2[cH:10][c:11]([C:15]3([C:21](=[O:22])[NH2:23])[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[cH:12][cH:13][cH:14]2)[cH:6][cH:7]1.[C:40](=[O:41])([O-:42])[O-:43].[CH3:25][n:26]1[n:27][cH:28][cH:29][c:30]1[B:31]([OH:32])[OH:33].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cs+:44].[Cs+:45].[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1>>[c:2]1(-[c:30]2[n:26]([CH3:25])[n:27][cH:28][cH:29]2)[cH:3][c:4]([Cl:24])[c:5]([S:8][c:9]2[cH:10][c:11]([C:15]3([C:21](=[O:22])[NH2:23])[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[cH:12][cH:13][cH:14]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 11182610(1-methyl-1H-pyrazol-5-yl)boronic acidHCID 666575664-{3-[(4-bromo-2-chlorophenyl)thio]phenyl}tetrahydro-2H-pyran-4-carboxamide

Product 1

HCID 578641194-[3-[2-Chloro-4-(2-methylpyrazol-3-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide

Sources & evidence

ORD record
ord-46e27754593540ef9ba259c8a5fb976d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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