Ethanol → 2-[[2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-5-(3-fluoro-4-phenoxyphenyl)pentanoyl]amino]-3,3-dimethyl-N-(1-phenylethyl)butanamide

HRID 116519Notes

Reaction equation

HRID 116519 reaction equation
[CH3:1][C:2]1([CH3:45])[O:3][C:4](=[O:44])[CH:5]([CH:7]([C:8](=[O:9])[NH:10][CH:11]([C:12]([CH3:13])([CH3:14])[CH3:15])[C:16](=[O:17])[NH:18][CH:19]([CH3:20])[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:27][CH:28]=[CH:29][c:30]2[cH:31][c:32]([F:43])[c:33]([O:36][c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[cH:34][cH:35]2)[O:6]1.[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][CH2:53][OH:54]>>[CH3:1][C:2]1([CH3:45])[O:3][C:4](=[O:44])[CH:5]([CH:7]([C:8](=[O:9])[NH:10][CH:11]([C:12]([CH3:13])([CH3:14])[CH3:15])[C:16](=[O:17])[NH:18][CH:19]([CH3:20])[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:27][CH2:28][CH2:29][c:30]2[cH:31][c:32]([F:43])[c:33]([O:36][c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[cH:34][cH:35]2)[O:6]1

Participants

4

Reactant 3

HCID 702EthanolHCID 8857Ethyl AcetateHCID 178465211HCID 178465211, compound

Product 1

HCID 183192552-[[2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-5-(3-fluoro-4-phenoxyphenyl)pentanoyl]amino]-3,3-dimethyl-N-(1-phenylethyl)butanamide

Sources & evidence

ORD record
ord-353983b60b5246199346bb3de4d28bcd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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