Acetic Acid → 2-[(Benzenesulfonyl)methyl]-4-bromo-1-nitrobenzene

HRID 2125869Notes

Reaction equation

HRID 2125869 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH3:22][C:23]([CH3:24])([O-:25])[CH3:26].[CH3:28][C:29](=[O:30])[OH:31].[Cl:11][CH2:12][S:13](=[O:14])(=[O:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[K+:27].[Na+:42].[O-:38][C:39]([OH:40])=[O:41].[OH2:37]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[c:6]([CH2:12][S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:7]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 114661-Bromo-4-nitrobenzeneHCID 81625((Chloromethyl)sulphonyl)benzeneHCID 45749132-Methylpropan-2-olate

Product 1

HCID 124463822-[(Benzenesulfonyl)methyl]-4-bromo-1-nitrobenzene

Sources & evidence

ORD record
ord-6213204fa13c43ea917f18049ebb2add
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…