Chloride → 3-Hydroxy-1-(4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl)oct-7-en-1-one

HRID 664035Notes

Reaction equation

HRID 664035 reaction equation
[CH:13]([N:14]([CH:15]([CH3:16])[CH3:17])[CH2:18][CH3:19])([CH3:20])[CH3:21].[CH:1]([CH3:2])([CH3:3])[CH:4]1[N:5]([C:10]([CH3:11])=[O:12])[C:6](=[S:9])[S:7][CH2:8]1.[CH:22]([CH2:23][CH2:24][CH2:25][CH:26]=[CH2:27])=[O:28].[Cl-:32].[Cl-:33].[Cl-:34].[Cl-:35].[Cl:29][CH2:30][Cl:31].[Ti+4:36]>>[CH:1]([CH3:2])([CH3:3])[CH:4]1[N:5]([C:10]([CH2:11][CH:22]([CH2:23][CH2:24][CH2:25][CH:26]=[CH2:27])[OH:28])=[O:12])[C:6](=[S:9])[S:7][CH2:8]1

Participants

7

Reactant 6

HCID 312Chloride4×HCID 6344DichloromethaneHCID 698175-HexenalHCID 81531DiisopropylethylamineHCID 114942Titanium cation (4+)HCID 107745241-(4-(1-Methylethyl)-2-thioxo-3-thiazolidinyl)ethanone

Product 1

HCID 723460783-Hydroxy-1-(4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl)oct-7-en-1-one

Sources & evidence

ORD record
ord-e28fcb50f1fd46aa8f9371b9c9fb944a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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