Benzene → HCID 70491345, compound

HRID 2321347Notes

Reaction equation

HRID 2321347 reaction equation
[C:34](=[O:35])([OH:36])[O-:37].[F:1][c:2]1[c:3]([CH2:4][O:5][CH:6]2[C:7]([OH:12])([CH2:13][CH2:14][C:15](=[CH2:16])[CH3:17])[CH2:8][CH2:9][CH2:10][CH2:11]2)[cH:18][cH:19][cH:20][cH:21]1.[Na+:38].[OH2:22].[c:23]1([CH3:24])[cH:25][cH:26][c:27]([S:28]([OH:29])(=[O:30])=[O:31])[cH:32][cH:33]1.[cH:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[F:1][c:2]1[c:3]([CH2:4][O:5][CH:6]2[C:7]3([CH2:8][CH2:9][CH2:10][CH2:11]2)[O:12][C:15]([CH3:16])([CH3:17])[CH2:14][CH2:13]3)[cH:18][cH:19][cH:20][cH:21]1

Participants

7

Reactant 6

HCID 241BenzeneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 20276810HCID 20276810, compound

Product 1

HCID 70491345HCID 70491345, compound

Sources & evidence

ORD record
ord-72fa44fd2f154da89b675974f24712ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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