Toluene → HCID 53832859, compound

HRID 1128892Notes

Reaction equation

HRID 1128892 reaction equation
[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:28][C:29]1=[C:40]([Cl:41])[C:38](=[O:39])[C:35]([C:36]#[N:37])=[C:32]([C:33]#[N:34])[C:30]1=[O:31].[O:1]=[C:2]1[CH:3]([CH3:16])[CH:4]([CH:9]=[CH:10][C:11](=[CH:12][CH:13]=[O:14])[CH3:15])[C:5]([CH3:7])([CH3:8])[CH2:6]1.[c:17]1([CH3:18])[cH:19][cH:20][c:21]([S:22]([OH:23])(=[O:24])=[O:25])[cH:26][cH:27]1>>[O:1]=[C:2]1[C:3]([CH3:16])=[C:4]([CH:9]=[CH:10][C:11](=[CH:12][CH:13]=[O:14])[CH3:15])[C:5]([CH3:7])([CH3:8])[CH2:6]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 67752,3-Dichloro-5,6-dicyano-1,4-benzoquinoneHCID 54549039HCID 54549039, compound

Product 1

HCID 53832859HCID 53832859, compound

Sources & evidence

ORD record
ord-2687346ac8494cbdb8df802eae7df611
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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