Isopropanol → Isopropyl 4-Methyl-2-thioxopyrrolidine-3-carboxylate

HRID 96354Notes

Reaction equation

HRID 96354 reaction equation
[CH3:17][CH:18]([CH3:19])[O-:20].[CH3:1][CH:2]1[CH:3]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[C:4](=[S:7])[NH:5][CH2:6]1.[CH3:21][CH:22]([CH3:23])[O-:24].[CH3:25][CH:26]([CH3:27])[O-:28].[CH3:29][CH:30]([CH3:31])[O-:32].[CH:13]([OH:14])([CH3:15])[CH3:16].[Ti+4:33]>>[CH3:1][CH:2]1[CH:3]([C:8](=[O:9])[O:10][CH:11]([CH3:12])[CH3:13])[C:4](=[S:7])[NH:5][CH2:6]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 114942Titanium cation (4+)HCID 3260420Isopropanolate4×HCID 19903350HCID 19903350, compound

Product 1

HCID 10465433Isopropyl 4-Methyl-2-thioxopyrrolidine-3-carboxylate

Sources & evidence

ORD record
ord-f7d42b7855b14dd28d300036b5e23dda
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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