Benzene → HCID 57725029, compound

HRID 184714Notes

Reaction equation

HRID 184714 reaction equation
[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([CH3:21])[c:6]2[c:11]([c:12]([CH3:15])[c:13]1[CH3:14])[O:10][C:9]([CH3:16])([CH2:17][O:18][CH3:19])[CH2:8][CH:7]2[OH:20].[OH2:39].[c:28]1([CH3:29])[cH:30][cH:31][c:32]([S:33]([OH:34])(=[O:35])=[O:36])[cH:37][cH:38]1.[cH:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([CH3:21])[c:6]2[c:11]([c:12]([CH3:15])[c:13]1[CH3:14])[O:10][C:9]([CH3:16])([CH2:17][O:18][CH3:19])[CH:8]=[CH:7]2

Participants

5

Reactant 4

HCID 241BenzeneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 23118277HCID 23118277, compound

Product 1

HCID 57725029HCID 57725029, compound

Sources & evidence

ORD record
ord-6c33ec2495c64a3fbe3d6ad86049b550
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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