Toluene → HCID 21190634, compound

HRID 2348656Notes

Reaction equation

HRID 2348656 reaction equation
[CH2:14]=[C:15]([CH3:16])[CH3:17].[CH3:18][S:19](=[O:20])(=[O:21])[OH:22].[CH3:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[nH:1]1[n:2][n:3][n:4][c:5]1-[c:6]1[cH:7][c:8]([CH:9]=[O:10])[cH:11][cH:12][cH:13]1>>[n:1]1[n:2][n:3]([C:15]([CH3:14])([CH3:16])[CH3:17])[n:4][c:5]1-[c:6]1[cH:7][c:8]([CH:9]=[O:10])[cH:11][cH:12][cH:13]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 6395Methanesulfonic AcidHCID 8255IsobutyleneHCID 8857Ethyl AcetateHCID 178519552HCID 178519552, compound

Product 1

HCID 21190634HCID 21190634, compound

Sources & evidence

ORD record
ord-db7a472a9ec9452e8cecd3752a0a34ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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