Water → Methyl 5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate

HRID 2161561Notes

Reaction equation

HRID 2161561 reaction equation
[C:24](=[O:25])([O-:26])[O-:27].[C:30]([CH3:31])([CH3:32])([CH3:33])[c:34]1[c:35]([OH:45])[c:36]([C:41]([CH3:42])([CH3:43])[CH3:44])[cH:37][c:38]([SH:40])[cH:39]1.[CH2:46]([C:47]([CH3:48])=[O:49])[CH3:50].[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6]([CH3:23])[c:7]([S:10](=[O:11])(=[O:12])[N:13]2[CH2:14][CH:15]([O:18][S:19]([CH3:20])(=[O:21])=[O:22])[CH2:16][CH2:17]2)[cH:8][cH:9]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cs+:28].[Cs+:29].[OH2:51]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6]([CH3:23])[c:7]([S:10](=[O:11])(=[O:12])[N:13]2[CH2:14][CH:15]([S:40][c:38]3[cH:37][c:36]([C:41]([CH3:42])([CH3:43])[CH3:44])[c:35]([OH:45])[c:34]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:39]3)[CH2:16][CH2:17]2)[cH:8][cH:9]1

Participants

8

Reactant 7

HCID 962WaterHCID 6569Methyl Ethyl KetoneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 703702,6-Di-tert-butyl-4-mercaptophenolHCID 104967Cesium cation2×HCID 87243649Methyl 1-methyl-5-(3-methylsulfonyloxypyrrolidin-1-yl)sulfonylpyrrole-2-carboxylate

Product 1

HCID 87243647Methyl 5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate

Sources & evidence

ORD record
ord-8306022661d840fab30fa557ef275e3a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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