Ethanol → 4-Nitrophenyl 4'-isobutyl-2-biphenylsulphonate

HRID 673950Notes

Reaction equation

HRID 673950 reaction equation
[CH2:21]([CH:22]([CH3:23])[CH3:24])[c:25]1[cH:26][cH:27][c:28]([B:31]([OH:32])[OH:33])[cH:29][cH:30]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:48][CH2:49][OH:50].[I:1][c:2]1[c:3]([S:8](=[O:9])(=[O:10])[O:11][c:12]2[cH:13][cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]2)[cH:4][cH:5][cH:6][cH:7]1.[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[OH2:47]>>[c:2]1(-[c:28]2[cH:27][cH:26][c:25]([CH2:21][CH:22]([CH3:23])[CH3:24])[cH:30][cH:29]2)[c:3]([S:8](=[O:9])(=[O:10])[O:11][c:12]2[cH:13][cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 2773472(4-Isobutylphenyl)boronic acidHCID 18704822HCID 18704822, compound

Product 1

HCID 187047924-Nitrophenyl 4'-isobutyl-2-biphenylsulphonate

Sources & evidence

ORD record
ord-5716b2d51f1f46d7ab0bbc573dfe7088
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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