Ethanol → Methyl 1-[3-(2,5-difluorophenyl)prop-2-enyl]-4-[3-(6-methoxy-3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxylate

HRID 1220362Notes

Reaction equation

HRID 1220362 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:26]1)[N:8]([CH2:13][CH2:14][CH2:15][CH:16]1[CH:17]([C:22](=[O:23])[O:24][CH3:25])[CH2:18][NH:19][CH2:20][CH2:21]1)[C:9](=[O:12])[CH2:10][O:11]2.[CH3:45][CH2:46][OH:47].[Cl:33][CH2:34][CH:35]=[CH:36][c:37]1[c:38]([F:44])[cH:39][cH:40][c:41]([F:43])[cH:42]1.[K+:27].[K+:28].[O-:29][C:30]([O-:31])=[O:32]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:26]1)[N:8]([CH2:13][CH2:14][CH2:15][CH:16]1[CH:17]([C:22](=[O:23])[O:24][CH3:25])[CH2:18][N:19]([CH2:34][CH:35]=[CH:36][c:37]3[c:38]([F:44])[cH:39][cH:40][c:41]([F:43])[cH:42]3)[CH2:20][CH2:21]1)[C:9](=[O:12])[CH2:10][O:11]2

Participants

6

Reactant 5

HCID 702EthanolHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 667736212-(3-Chloro-propenyl)-1,4-difluoro-benzeneHCID 66775079methyl 4-[3-(6-methoxy-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxylate

Product 1

HCID 66775928Methyl 1-[3-(2,5-difluorophenyl)prop-2-enyl]-4-[3-(6-methoxy-3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxylate

Sources & evidence

ORD record
ord-6272f2b5d5ce48008b309dd1af98860e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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