Acetic Acid → Toluene-4-sulfonic acid 2-isopropyl-4-methoxy-5-nitro-phenyl ester

HRID 667217Notes

Reaction equation

HRID 667217 reaction equation
[C:27]([OH:28])(=[O:29])[CH3:30].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:12][S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[cH:6][cH:7][c:8]([O:10][CH3:11])[cH:9]1.[OH:23][N+:24]([O-:25])=[O:26]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:12][S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[cH:6][c:7]([N+:24](=[O:23])[O-:25])[c:8]([O:10][CH3:11])[cH:9]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 944Nitric AcidHCID 44248852Toluene-4-sulfonic acid 2-isopropyl-4-methoxy-phenyl ester

Product 1

HCID 59598687Toluene-4-sulfonic acid 2-isopropyl-4-methoxy-5-nitro-phenyl ester

Sources & evidence

ORD record
ord-1d8996c8b4e247ef88b2a02d73253287
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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