Benzene → HCID 69906260, compound

HRID 1229995Notes

Reaction equation

HRID 1229995 reaction equation
[Na+:45].[O-:41][C:42]([OH:43])=[O:44].[OH2:46].[OH:1][C:2]([CH2:3][C:4](=[O:5])[O:6][CH2:7][CH3:8])([CH3:9])[c:10]1[cH:11][cH:12][c:13]([CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[cH:14][cH:15]1.[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1.[cH:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[C:2](=[CH:3][C:4](=[O:5])[O:6][CH2:7][CH3:8])([CH3:9])[c:10]1[cH:11][cH:12][c:13]([CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[cH:14][cH:15]1

Participants

7

Reactant 6

HCID 241BenzeneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 22718798HCID 22718798, compound

Product 1

HCID 69906260HCID 69906260, compound

Sources & evidence

ORD record
ord-90c9a794add840c4acfd42439b96871b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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