Water → 2-[bis(methylsulfanyl)methylene]-4,4-dibutyl-1,3(2H,4H)-naphthalenedione

HRID 2125600Notes

Reaction equation

HRID 2125600 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]1([CH2:17][CH2:18][CH2:19][CH3:20])[C:6](=[O:16])[CH:7]=[C:8]([OH:15])[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]21.[CH3:27][S:28][C:29]([S:30][CH3:31])=[S+:32][CH3:33].[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[OH2:40].[S:21]([O-:22])([O:23][CH3:24])(=[O:25])=[O:26]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]1([CH2:17][CH2:18][CH2:19][CH3:20])[C:6](=[O:16])[C:7](=[C:29]([S:28][CH3:27])[S:30][CH3:31])[C:8](=[O:15])[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]21

Participants

6

Reactant 5

HCID 962WaterHCID 312751,4-DioxaneHCID 4694097Methyl sulfate(1-)HCID 11021008Bis(methylsulfanyl)methylidene-methylsulfaniumHCID 688724791,1-dibutyl-4-hydroxy-2(1H)-naphthalenone

Product 1

HCID 112111042-[bis(methylsulfanyl)methylene]-4,4-dibutyl-1,3(2H,4H)-naphthalenedione

Sources & evidence

ORD record
ord-b0f23064e2cf4753a06d9f8bba7d0133
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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