Dimethyl Sulfoxide → methyl 3,5-difluoro-4-[3-[[(2-methylpropan-2-yl)oxycarbonyl-(1-naphthalen-1-ylethyl)amino]methyl]-4-phenylpyrrolidin-1-yl]benzoate

HRID 215287Notes

Reaction equation

HRID 215287 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH3:1][S:2]([CH3:3])=[O:4].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[F:43][c:44]1[cH:45][c:46]([C:47](=[O:48])[O:49][CH3:50])[cH:51][c:52]([F:55])[c:53]1[F:54].[K+:41].[K+:42].[c:5]1([CH:15]([CH3:16])[N:17]([C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:25][CH:26]2[CH2:27][NH:28][CH2:29][CH:30]2[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:6][cH:7][cH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]12>>[c:5]1([CH:15]([CH3:16])[N:17]([C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:25][CH:26]2[CH2:27][N:28]([c:53]3[c:44]([F:43])[cH:45][c:46]([C:47](=[O:48])[O:49][CH3:50])[cH:51][c:52]3[F:55])[CH2:29][CH:30]2[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:6][cH:7][cH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]12

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 2783211methyl 3,4,5-trifluorobenzoateHCID 178435709HCID 178435709, compound

Product 1

HCID 178498341methyl 3,5-difluoro-4-[3-[[(2-methylpropan-2-yl)oxycarbonyl-(1-naphthalen-1-ylethyl)amino]methyl]-4-phenylpyrrolidin-1-yl]benzoate

Sources & evidence

ORD record
ord-c71585ecf8a14ae88275933dc1bd6764
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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