Dimethylformamide → 3-{2-[4-(4-Chloro-3-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-2-oxo-2,3-dihydro-benzooxazole-6-carbonitrile

HRID 313615Notes

Reaction equation

HRID 313615 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl:1][CH2:2][C:3](=[O:4])[N:5]1[CH2:6][CH2:7][N:8]([c:11]2[cH:12][c:13]([O:18][CH3:19])[c:14]([Cl:17])[cH:15][cH:16]2)[CH2:9][CH2:10]1.[Cs+:36].[Cs+:37].[O:20]=[c:21]1[o:22][c:23]2[c:24]([nH:25]1)[cH:26][cH:27][c:28]([C:30]#[N:31])[cH:29]2.[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[CH2:2]([C:3](=[O:4])[N:5]1[CH2:6][CH2:7][N:8]([c:11]2[cH:12][c:13]([O:18][CH3:19])[c:14]([Cl:17])[cH:15][cH:16]2)[CH2:9][CH2:10]1)[n:25]1[c:21](=[O:20])[o:22][c:23]2[c:24]1[cH:26][cH:27][c:28]([C:30]#[N:31])[cH:29]2

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 101762552-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbonitrileHCID 210711262-Chloro-1-(4-(4-chloro-3-methoxyphenyl)piperazin-1-yl)ethanone

Product 1

HCID 588343553-{2-[4-(4-Chloro-3-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-2-oxo-2,3-dihydro-benzooxazole-6-carbonitrile

Sources & evidence

ORD record
ord-862bd43dfcd5499eb86a2c64efdb0e08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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