Benzene → HCID 19780713, compound

HRID 1560574Notes

Reaction equation

HRID 1560574 reaction equation
[OH2:28].[OH:1][c:2]1[c:3]([CH2:10][CH2:11][CH2:12][C:13]([CH3:14])([OH:15])[CH3:16])[c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]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.[cH:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[c:2]12[c:3]([c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1)[CH2:10][CH2:11][CH2:12][C:13]([CH3:14])([CH3:16])[O:15]2

Participants

5

Reactant 4

HCID 241BenzeneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 19780704HCID 19780704, compound

Product 1

HCID 19780713HCID 19780713, compound

Sources & evidence

ORD record
ord-c15fd31133594f058eaed7b122ead7a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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