Dimethylformamide → (3-{2-[4-(4-Chloro-3-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-2-oxo-2,3-dihydro-benzooxazol-6-yloxy)-acetic acid ethyl ester

HRID 1551568Notes

Reaction equation

HRID 1551568 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:1][c:2]1[c:3]([O:28][CH3:29])[cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([C:14]([CH2:15][n:16]3[c:17](=[O:26])[o:18][c:19]4[c:20]3[cH:21][cH:22][c:23]([OH:25])[cH:24]4)=[O:27])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[Cl:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36].[Cs+:41].[Cs+:42].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[Cl:1][c:2]1[c:3]([O:28][CH3:29])[cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([C:14]([CH2:15][n:16]3[c:17](=[O:26])[o:18][c:19]4[c:20]3[cH:21][cH:22][c:23]([O:25][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:24]4)=[O:27])[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 7751Ethyl chloroacetateHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 588343493-{2-[4-(4-chloro-3-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-6-hydroxy-3H-benzooxazol-2-one

Product 1

HCID 58834369(3-{2-[4-(4-Chloro-3-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-2-oxo-2,3-dihydro-benzooxazol-6-yloxy)-acetic acid ethyl ester

Sources & evidence

ORD record
ord-3e7217b6fb304dd4ae0982888677246d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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